N-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(4-p-anisyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-31-22-11-5-19(6-12-22)18-27-13-3-14-28(16-15-27)25(30)20-7-9-21(10-8-20)26-24(29)23-4-2-17-32-23/h2,4-12,17H,3,13-16,18H2,1H3,(H,26,29)/p+1