(E)-3-(3-azanyl-4-methyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-azanyl-4-methyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-amino-4-methyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-amino-4-methylphenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-amino-4-methylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-amino-4-methyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)C)N

InChI

InChI=1S/C15H21N3O/c1-12-3-4-13(11-14(12)16)5-6-15(19)18-9-7-17(2)8-10-18/h3-6,11H,7-10,16H2,1-2H3/p+1/b6-5+