N'-(3-methylbutyl)-4-(naphthalen-1-ylmethylamino)-3-nitro-benzenecarboximidamide hydrochloride

Systemtic Name: N'-(3-methylbutyl)-4-(naphthalen-1-ylmethylamino)-3-nitro-benzenecarboximidamide hydrochloride Openeye Name: N'-isopentyl-4-(1-naphthylmethylamino)-3-nitro-benzamidine hydrochloride CAS Name: N'-(3-methylbutyl)-4-(1-naphthalenylmethylamino)-3-nitrobenzenecarboximidamide hydrochloride IUPAC Name: N'-(3-methylbutyl)-4-(naphthalen-1-ylmethylamino)-3-nitrobenzenecarboximidamide hydrochloride Traditional Name: N'-isoamyl-4-(1-naphthylmethylamino)-3-nitro-benzamidine hydrochloride Formula: C23H27ClN4O2 MolecularWeight: 426.93908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(C1=CC(=C(C=C1)NCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-])N.Cl

Isomeric SMILES

CC(C)CCN=C(C1=CC(=C(C=C1)NCC2=CC=CC3=CC=CC=C32)[N+](=O)[O-])N.Cl

InChI

InChI=1S/C23H26N4O2.ClH/c1-16(2)12-13-25-23(24)18-10-11-21(22(14-18)27(28)29)26-15-19-8-5-7-17-6-3-4-9-20(17)19;/h3-11,14,16,26H,12-13,15H2,1-2H3,(H2,24,25);1H