(3S)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (3S)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]azepan-2-one Openeye Name: (3S)-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]azepan-2-one CAS Name: (3S)-3-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (3S)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]azepan-2-one Traditional Name: (3S)-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]azepan-2-one Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3S/c22-18-17(8-4-5-10-19-18)20-11-13-21(14-12-20)25(23,24)15-9-16-6-2-1-3-7-16/h1-3,6-7,9,15,17H,4-5,8,10-14H2,(H,19,22)/p+1/b15-9+/t17-/m0/s1