(2-methyl-4-phenylazanyl-butyl)-[(4-nitrophenyl)methyl]-dipropyl-azanium chloride

Systemtic Name: (2-methyl-4-phenylazanyl-butyl)-[(4-nitrophenyl)methyl]-dipropyl-azanium chloride Openeye Name: (4-anilino-2-methyl-butyl)-[(4-nitrophenyl)methyl]-dipropyl-ammonium chloride CAS Name: (4-anilino-2-methylbutyl)-[(4-nitrophenyl)methyl]-dipropylammonium chloride IUPAC Name: (4-anilino-2-methylbutyl)-[(4-nitrophenyl)methyl]-dipropylazanium chloride Traditional Name: (4-anilino-2-methyl-butyl)-(4-nitrobenzyl)-dipropyl-ammonium chloride Formula: C24H36ClN3O2 MolecularWeight: 434.01454

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CC1=CC=C(C=C1)[N+](=O)[O-])CC(C)CCNC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC[N+](CCC)(CC1=CC=C(C=C1)[N+](=O)[O-])CC(C)CCNC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C24H36N3O2.ClH/c1-4-17-27(18-5-2,20-22-11-13-24(14-12-22)26(28)29)19-21(3)15-16-25-23-9-7-6-8-10-23;/h6-14,21,25H,4-5,15-20H2,1-3H3;1H/q+1;/p-1