6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(1-adamantyl)-1-piperazin-4-iumyl]methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-[[4-(1-adamantyl)piperazin-4-ium-1-yl]methyl]-2-keto-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1H-pyridine-3-carboxamide Formula: C32H44N5O2+ MolecularWeight: 530.72406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C1C=CC(=C2)CNC(=O)C3=CC=C(NC3=O)CN4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1CCCC2=C1C=CC(=C2)CNC(=O)C3=CC=C(NC3=O)CN4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H43N5O2/c1-35-8-2-3-26-16-22(4-7-29(26)35)20-33-30(38)28-6-5-27(34-31(28)39)21-36-9-11-37(12-10-36)32-17-23-13-24(18-32)15-25(14-23)19-32/h4-7,16,23-25H,2-3,8-15,17-21H2,1H3,(H,33,38)(H,34,39)/p+1