butyl-methyl-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: butyl-methyl-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium Openeye Name: butyl-methyl-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]ammonium CAS Name: butyl-methyl-[[2-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]ammonium IUPAC Name: butyl-methyl-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]azanium Traditional Name: butyl-methyl-[2-(piperazin-4-ium-1-carbonyl)benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCC[NH+](C)CC1=CC=CC=C1C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-3-4-11-19(2)14-15-7-5-6-8-16(15)17(21)20-12-9-18-10-13-20/h5-8,18H,3-4,9-14H2,1-2H3/p+2