(E)-3-(3-aminophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-aminophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-aminophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-aminophenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-aminophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-aminophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=CC=C2)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)N

InChI

InChI=1S/C14H19N3O/c1-16-7-9-17(10-8-16)14(18)6-5-12-3-2-4-13(15)11-12/h2-6,11H,7-10,15H2,1H3/p+1/b6-5+