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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O/c1-18(2,3)16-8-5-15(6-9-16)7-10-17(21)20-13-11-19(4)12-14-20/h5-10H,11-14H2,1-4H3/p+1/b10-7+