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

Systemtic Name: 4-[ethyl(phenyl)amino]-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(N-ethylanilino)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(N-ethylanilino)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(N-ethylanilino)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(N-ethylanilino)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-2-18(15-7-4-3-5-8-15)12-6-9-16(20)19-13-10-17-11-14-19/h3-5,7-8,17H,2,6,9-14H2,1H3/p+1