(3S)-N-(phenylmethyl)-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(phenylmethyl)-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(phenylmethyl)-1-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(2-thenyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C23H33N3OS+2 MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CS3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CS3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H31N3OS/c27-23(24-16-19-6-2-1-3-7-19)20-8-4-12-26(17-20)21-10-13-25(14-11-21)18-22-9-5-15-28-22/h1-3,5-7,9,15,20-21H,4,8,10-14,16-18H2,(H,24,27)/p+2/t20-/m0/s1