N-[5-[[4-(cyclohexylmethyl)-5-oxidanylidene-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[5-[[4-(cyclohexylmethyl)-5-oxidanylidene-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[5-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]-2-thienyl]acetamide CAS Name: N-[5-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]-2-thiophenyl]acetamide IUPAC Name: N-[5-[[4-(cyclohexylmethyl)-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]acetamide Traditional Name: N-[5-[[4-(cyclohexylmethyl)-5-keto-1,4-diazepan-1-ium-1-yl]methyl]-2-thienyl]acetamide Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C[NH+]2CCC(=O)N(CC2)CC3CCCCC3

InChI

InChI=1S/C19H29N3O2S/c1-15(23)20-18-8-7-17(25-18)14-21-10-9-19(24)22(12-11-21)13-16-5-3-2-4-6-16/h7-8,16H,2-6,9-14H2,1H3,(H,20,23)/p+1