4-[methyl(phenyl)amino]-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-[methyl(phenyl)amino]-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(N-methylanilino)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(N-methylanilino)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(N-methylanilino)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(N-methylanilino)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CC[NH2+]CC1)C2=CC=CC=C2

Isomeric SMILES

CN(CCCC(=O)N1CC[NH2+]CC1)C2=CC=CC=C2

InChI

InChI=1S/C15H23N3O/c1-17(14-6-3-2-4-7-14)11-5-8-15(19)18-12-9-16-10-13-18/h2-4,6-7,16H,5,8-13H2,1H3/p+1