butyl-[3-[(3-methylphenyl)amino]propyl]-[(4-nitrophenyl)methyl]azanium chloride

Systemtic Name: butyl-[3-[(3-methylphenyl)amino]propyl]-[(4-nitrophenyl)methyl]azanium chloride Openeye Name: butyl-[3-(3-methylanilino)propyl]-[(4-nitrophenyl)methyl]ammonium chloride CAS Name: butyl-[3-(3-methylanilino)propyl]-[(4-nitrophenyl)methyl]ammonium chloride IUPAC Name: butyl-[3-(3-methylanilino)propyl]-[(4-nitrophenyl)methyl]azanium chloride Traditional Name: butyl-[3-(m-toluidino)propyl]-(4-nitrobenzyl)ammonium chloride Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCNC1=CC=CC(=C1)C)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCC[NH+](CCCNC1=CC=CC(=C1)C)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H29N3O2.ClH/c1-3-4-14-23(17-19-9-11-21(12-10-19)24(25)26)15-6-13-22-20-8-5-7-18(2)16-20;/h5,7-12,16,22H,3-4,6,13-15,17H2,1-2H3;1H