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

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

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CSC4=C3C=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CSC4=C3C=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H23N3O4S.ClH/c1-29-21-5-3-2-4-19(21)24-12-10-23(11-13-24)9-8-20(26)18-15-30-22-7-6-16(25(27)28)14-17(18)22;/h2-7,14-15H,8-13H2,1H3;1H