butyl-methyl-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium

Systemtic Name: butyl-methyl-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium Openeye Name: butyl-methyl-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]ammonium CAS Name: butyl-methyl-[[3-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]ammonium IUPAC Name: butyl-methyl-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]azanium Traditional Name: butyl-methyl-[3-(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(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCC[NH+](C)CC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

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