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

Systemtic Name: (3S)-N-(phenylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(phenylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C25H35N3O+2 MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O/c29-25(26-18-21-8-3-1-4-9-21)23-12-7-15-28(20-23)24-13-16-27(17-14-24)19-22-10-5-2-6-11-22/h1-6,8-11,23-24H,7,12-20H2,(H,26,29)/p+2/t23-/m0/s1