(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H37N3O/c1-3-25(4-2)24(28)21-10-7-13-27(18-21)22-11-14-26(15-12-22)23-16-19-8-5-6-9-20(19)17-23/h5-6,8-9,21-23H,3-4,7,10-18H2,1-2H3/p+2/t21-/m0/s1