butan-2-yl-methyl-[2-[(3-methylphenyl)amino]ethyl]-[(4-nitrophenyl)methyl]azanium

Systemtic Name: butan-2-yl-methyl-[2-[(3-methylphenyl)amino]ethyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: methyl-[2-(3-methylanilino)ethyl]-[(4-nitrophenyl)methyl]-sec-butyl-ammonium CAS Name: butan-2-yl-methyl-[2-(3-methylanilino)ethyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: butan-2-yl-methyl-[2-(3-methylanilino)ethyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: methyl-[2-(m-toluidino)ethyl]-(4-nitrobenzyl)-sec-butyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](C)(CCNC1=CC=CC(=C1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)[N+](C)(CCNC1=CC=CC(=C1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H30N3O2/c1-5-18(3)24(4,14-13-22-20-8-6-7-17(2)15-20)16-19-9-11-21(12-10-19)23(25)26/h6-12,15,18,22H,5,13-14,16H2,1-4H3/q+1