2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one hydrochloride

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one hydrochloride Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitrobenzothiophen-3-yl)propan-1-one hydrochloride CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(5-nitro-1-benzothiophen-3-yl)-1-propanone hydrochloride IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one hydrochloride Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-1-(5-nitrobenzothiophen-3-yl)propan-1-one hydrochloride Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC.Cl

Isomeric SMILES

CC(C(=O)C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC.Cl

InChI

InChI=1S/C22H23N3O4S.ClH/c1-15(22(26)18-14-30-21-8-7-16(25(27)28)13-17(18)21)23-9-11-24(12-10-23)19-5-3-4-6-20(19)29-2;/h3-8,13-15H,9-12H2,1-2H3;1H