4-(4-chloranyl-2-methyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 1-(4-allylpiperazin-4-ium-1-yl)-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 1-(4-allylpiperazin-4-ium-1-yl)-4-(4-chloro-2-methyl-phenoxy)butan-1-one Formula: C18H26ClN2O2+ MolecularWeight: 337.86424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O2/c1-3-8-20-9-11-21(12-10-20)18(22)5-4-13-23-17-7-6-16(19)14-15(17)2/h3,6-7,14H,1,4-5,8-13H2,2H3/p+1