(2-azanyl-4-tert-butyl-phenyl)-(4-dimethylaminophenyl)-heptyl-methyl-azanium

Systemtic Name: (2-azanyl-4-tert-butyl-phenyl)-(4-dimethylaminophenyl)-heptyl-methyl-azanium Openeye Name: (2-amino-4-tert-butyl-phenyl)-(4-dimethylaminophenyl)-heptyl-methyl-ammonium CAS Name: (2-amino-4-tert-butylphenyl)-(4-dimethylaminophenyl)-heptyl-methylammonium IUPAC Name: (2-amino-4-tert-butylphenyl)-(4-dimethylaminophenyl)-heptyl-methylazanium Traditional Name: (2-amino-4-tert-butyl-phenyl)-(4-dimethylaminophenyl)-heptyl-methyl-ammonium Formula: C26H42N3+ MolecularWeight: 396.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](C)(C1=CC=C(C=C1)N(C)C)C2=C(C=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCCCCCC[N+](C)(C1=CC=C(C=C1)N(C)C)C2=C(C=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C26H42N3/c1-8-9-10-11-12-19-29(7,23-16-14-22(15-17-23)28(5)6)25-18-13-21(20-24(25)27)26(2,3)4/h13-18,20H,8-12,19,27H2,1-7H3/q+1