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

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C24H34N4O+2 MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H32N4O/c29-24(26-17-21-8-4-12-25-16-21)22-9-5-13-28(19-22)23-10-14-27(15-11-23)18-20-6-2-1-3-7-20/h1-4,6-8,12,16,22-23H,5,9-11,13-15,17-19H2,(H,26,29)/p+2/t22-/m0/s1