[4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-(4-neopentylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H27N3/c1-16(2,3)13-18-8-10-19(11-9-18)15-6-4-14(12-17)5-7-15/h4-7H,8-13,17H2,1-3H3/p+2