1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-besyl-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-27-19-9-7-18(8-10-19)17-22-12-14-23(15-13-22)21(24)11-16-28(25,26)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3/p+1