(4-aminophenyl)methyl-(2-ethyl-3-methyl-phenyl)-methyl-(2-nitrobutyl)azanium

Systemtic Name: (4-aminophenyl)methyl-(2-ethyl-3-methyl-phenyl)-methyl-(2-nitrobutyl)azanium Openeye Name: (4-aminophenyl)methyl-(2-ethyl-3-methyl-phenyl)-methyl-(2-nitrobutyl)ammonium CAS Name: (4-aminophenyl)methyl-(2-ethyl-3-methylphenyl)-methyl-(2-nitrobutyl)ammonium IUPAC Name: (4-aminophenyl)methyl-(2-ethyl-3-methylphenyl)-methyl-(2-nitrobutyl)azanium Traditional Name: (4-aminobenzyl)-(2-ethyl-3-methyl-phenyl)-methyl-(2-nitrobutyl)ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1[N+](C)(CC2=CC=C(C=C2)N)CC(CC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=CC=C1[N+](C)(CC2=CC=C(C=C2)N)CC(CC)[N+](=O)[O-])C

InChI

InChI=1S/C21H30N3O2/c1-5-19(23(25)26)15-24(4,14-17-10-12-18(22)13-11-17)21-9-7-8-16(3)20(21)6-2/h7-13,19H,5-6,14-15,22H2,1-4H3/q+1