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

Systemtic Name: (3S)-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H34N4O/c1-20-5-2-6-21(15-20)18-28-13-9-24(10-14-28)29-12-4-8-23(19-29)25(30)27-17-22-7-3-11-26-16-22/h2-3,5-7,11,15-16,23-24H,4,8-10,12-14,17-19H2,1H3,(H,27,30)/p+2/t23-/m0/s1