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

Systemtic Name: (3S)-N-(phenylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(phenylmethyl)-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]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=NC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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