(4-butylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-butylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(4-butylphenyl)methanone CAS Name: (4-butylphenyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-butylphenyl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(4-butylphenyl)methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC=C

InChI

InChI=1S/C18H26N2O/c1-3-5-6-16-7-9-17(10-8-16)18(21)20-14-12-19(11-4-2)13-15-20/h4,7-10H,2-3,5-6,11-15H2,1H3/p+1