[2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-(4-isopentylpiperazin-4-ium-1-yl)phenyl]methylammonium CAS Name: [2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-(4-isoamylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H27N3/c1-14(2)7-8-18-9-11-19(12-10-18)16-6-4-3-5-15(16)13-17/h3-6,14H,7-13,17H2,1-2H3/p+2