N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H37N5O+2 MolecularWeight: 411.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CN=CN4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C24H35N5O/c1-19-4-2-3-5-21(19)17-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)26-11-6-22-16-25-18-27-22/h2-5,16,18,20,23H,6-15,17H2,1H3,(H,25,27)(H,26,30)/p+2