N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-4-(2-thienylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-4-(2-thenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3OS/c1-15-5-2-6-16(13-15)19-18(22)21-9-4-8-20(10-11-21)14-17-7-3-12-23-17/h2-3,5-7,12-13H,4,8-11,14H2,1H3,(H,19,22)/p+1