(E)-3-(4-propan-2-ylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-isopropylphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-propan-2-ylphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-p-cumenyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O/c1-18(2)21-6-3-19(4-7-21)5-8-22(26)25-15-13-24(14-16-25)17-20-9-11-23-12-10-20/h3-12,18H,13-17H2,1-2H3/p+1/b8-5+