(3,4-dimethylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,4-dimethylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(3,4-dimethylphenyl)methanone CAS Name: (3,4-dimethylphenyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,4-dimethylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(3,4-dimethylphenyl)methanone Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O/c1-4-7-17-8-10-18(11-9-17)16(19)15-6-5-13(2)14(3)12-15/h4-6,12H,1,7-11H2,2-3H3/p+1