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

Systemtic Name: (3S)-N-cyclopentyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopentyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopentyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopentylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclopentyl-piperidin-1-ium-3-carboxamide Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O/c27-23(24-21-10-4-5-11-21)20-9-6-14-26(18-20)22-12-15-25(16-13-22)17-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2,(H,24,27)/p+2/t20-/m0/s1