N-phenyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-phenyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-phenyl-4-(2-thienylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-phenyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-phenyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-phenyl-4-(2-thenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c21-17(18-15-6-2-1-3-7-15)20-10-5-9-19(11-12-20)14-16-8-4-13-22-16/h1-4,6-8,13H,5,9-12,14H2,(H,18,21)/p+1