(E)-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-acrylamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-20-7-5-6-10-22(20)19-26-15-17-27(18-16-26)24(29)13-14-25-23(28)12-11-21-8-3-2-4-9-21/h2-12H,13-19H2,1H3,(H,25,28)/p+1/b12-11+