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

Systemtic Name: (3S)-N-(cyclopropylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(cyclopropylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4CC4

InChI

InChI=1S/C22H33N3O/c26-22(23-15-18-8-9-18)20-7-4-12-25(17-20)21-10-13-24(14-11-21)16-19-5-2-1-3-6-19/h1-3,5-6,18,20-21H,4,7-17H2,(H,23,26)/p+2/t20-/m0/s1