[(E)-2-phenylethenyl]sulfonyl-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]azanide

Systemtic Name: [(E)-2-phenylethenyl]sulfonyl-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]azanide Openeye Name: [(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-[(E)-styryl]sulfonyl-azanide CAS Name: [(E)-2-phenylethenyl]sulfonyl-[(2R)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]azanide IUPAC Name: [(E)-2-phenylethenyl]sulfonyl-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]azanide Traditional Name: [(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]-[(E)-styryl]sulfonyl-azanide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N-]S(=O)(=O)C=CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[N-]S(=O)(=O)/C=C/C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N3O2S/c1-19(18-22-27(25,26)17-12-20-8-4-2-5-9-20)23-13-15-24(16-14-23)21-10-6-3-7-11-21/h2-12,17,19H,13-16,18H2,1H3/q-1/p+1/b17-12+/t19-/m1/s1