2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H31N3O3S/c1-30-20-10-8-19(9-11-20)21-6-3-2-4-12-27(21)18-23(28)25-13-15-26(16-14-25)24(29)22-7-5-17-31-22/h5,7-11,17,21H,2-4,6,12-16,18H2,1H3/p+1/t21-/m1/s1