N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C23H29N3O3S/c1-29-18-12-10-17(11-13-18)20-8-3-2-6-14-26(20)15-23(28)25-19-7-4-5-9-21(19)30-16-22(24)27/h4-5,7,9-13,20H,2-3,6,8,14-16H2,1H3,(H2,24,27)(H,25,28)/p+1/t20-/m1/s1