N-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxamide

Systemtic Name: N-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxamide Openeye Name: N-phenyl-4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: N-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Traditional Name: N-phenyl-4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c27-21(25-14-12-24(13-15-25)17-20-7-4-16-29-20)18-8-10-26(11-9-18)22(28)23-19-5-2-1-3-6-19/h1-7,16,18H,8-15,17H2,(H,23,28)/p+1