[(1S)-1-phenylethyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: [(1S)-1-phenylethyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: [(1S)-1-phenylethyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid [(1S)-1-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid [(1S)-1-phenylethyl] ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N2O4S/c1-16(17-7-4-3-5-8-17)26-20(23)18-9-6-10-19(15-18)27(24,25)22-13-11-21(2)12-14-22/h3-10,15-16H,11-14H2,1-2H3/p+1/t16-/m0/s1