(2R)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-methyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-N-methyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-20(23(27)24(2)19-22-11-7-4-8-12-22)25-14-16-26(17-15-25)30(28,29)18-13-21-9-5-3-6-10-21/h3-13,18,20H,14-17,19H2,1-2H3/p+1/b18-13+/t20-/m1/s1