(4-nitrophenyl)methyl-(2-phenylazanylethyl)-dipropyl-azanium chloride

Systemtic Name: (4-nitrophenyl)methyl-(2-phenylazanylethyl)-dipropyl-azanium chloride Openeye Name: 2-anilinoethyl-[(4-nitrophenyl)methyl]-dipropyl-ammonium chloride CAS Name: 2-anilinoethyl-[(4-nitrophenyl)methyl]-dipropylammonium chloride IUPAC Name: 2-anilinoethyl-[(4-nitrophenyl)methyl]-dipropylazanium chloride Traditional Name: 2-anilinoethyl-(4-nitrobenzyl)-dipropyl-ammonium chloride Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N3O2.ClH/c1-3-15-24(16-4-2,17-14-22-20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)23(25)26;/h5-13,22H,3-4,14-18H2,1-2H3;1H/q+1;/p-1