1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-ethyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-ethyl-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-ethyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C28H42N4O+2 MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3C)CC4=CN=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3C)CC4=CN=CC=C4

InChI

InChI=1S/C28H40N4O/c1-3-30-17-12-26(13-18-30)28(33)32(21-25-8-6-14-29-19-25)20-24-10-15-31(16-11-24)22-27-9-5-4-7-23(27)2/h4-9,14,19,24,26H,3,10-13,15-18,20-22H2,1-2H3/p+2