(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C26H34N3O3S+ MolecularWeight: 468.63146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O3S/c1-27-19-20-29(25(21-27)23-9-5-4-6-10-23)26(30)16-13-22-11-14-24(15-12-22)33(31,32)28-17-7-2-3-8-18-28/h4-6,9-16,25H,2-3,7-8,17-21H2,1H3/p+1/b16-13+/t25-/m0/s1