4-(4-chloranyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C15H22ClN2O2+ MolecularWeight: 297.80038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C15H21ClN2O2/c1-12-11-13(4-5-14(12)16)20-10-2-3-15(19)18-8-6-17-7-9-18/h4-5,11,17H,2-3,6-10H2,1H3/p+1