(3,4-dimethoxyphenyl)-methyl-[1-[(2-nitrophenyl)methylamino]pentan-2-yl]-phenyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)-methyl-[1-[(2-nitrophenyl)methylamino]pentan-2-yl]-phenyl-azanium Openeye Name: (3,4-dimethoxyphenyl)-methyl-[1-[[(2-nitrophenyl)methylamino]methyl]butyl]-phenyl-ammonium CAS Name: (3,4-dimethoxyphenyl)-methyl-[1-[(2-nitrophenyl)methylamino]pentan-2-yl]-phenylammonium IUPAC Name: (3,4-dimethoxyphenyl)-methyl-[1-[(2-nitrophenyl)methylamino]pentan-2-yl]-phenylazanium Traditional Name: (3,4-dimethoxyphenyl)-methyl-[1-[[(2-nitrobenzyl)amino]methyl]butyl]-phenyl-ammonium Formula: C27H34N3O4+ MolecularWeight: 464.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNCC1=CC=CC=C1[N+](=O)[O-])[N+](C)(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(CNCC1=CC=CC=C1[N+](=O)[O-])[N+](C)(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H34N3O4/c1-5-11-24(20-28-19-21-12-9-10-15-25(21)29(31)32)30(2,22-13-7-6-8-14-22)23-16-17-26(33-3)27(18-23)34-4/h6-10,12-18,24,28H,5,11,19-20H2,1-4H3/q+1