(E)-1-(4-methylphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylphenyl)-3-[1-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methylphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]-1-(p-tolyl)prop-2-en-1-one Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CN(C3=CC=CC=C32)CN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CN4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N3O/c1-19-7-9-20(10-8-19)24(28)12-11-21-17-27(23-6-4-3-5-22(21)23)18-26-15-13-25(2)14-16-26/h3-12,17H,13-16,18H2,1-2H3/p+1/b12-11+