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

Systemtic Name: (E)-3-[(4-methylphenyl)amino]-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-methylanilino)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-methylanilino)-1-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylanilino)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(p-toluidino)prop-2-en-1-one Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC=CC(=O)C2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N3O/c1-17-3-7-19(8-4-17)22-12-11-21(25)18-5-9-20(10-6-18)24-15-13-23(2)14-16-24/h3-12,22H,13-16H2,1-2H3/p+1/b12-11+