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

Systemtic Name: tert-butyl-ethyl-[(2-piperazin-4-ium-1-ylcarbonylphenyl)methyl]azanium Openeye Name: tert-butyl-ethyl-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]ammonium CAS Name: tert-butyl-ethyl-[[2-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]ammonium IUPAC Name: tert-butyl-ethyl-[[2-(piperazin-4-ium-1-carbonyl)phenyl]methyl]azanium Traditional Name: tert-butyl-ethyl-[2-(piperazin-4-ium-1-carbonyl)benzyl]ammonium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-5-21(18(2,3)4)14-15-8-6-7-9-16(15)17(22)20-12-10-19-11-13-20/h6-9,19H,5,10-14H2,1-4H3/p+2