4-(naphthalen-1-ylmethylamino)-3-nitro-N'-propan-2-yl-benzenecarboximidamide hydrochloride

Systemtic Name: 4-(naphthalen-1-ylmethylamino)-3-nitro-N'-propan-2-yl-benzenecarboximidamide hydrochloride Openeye Name: N'-isopropyl-4-(1-naphthylmethylamino)-3-nitro-benzamidine hydrochloride CAS Name: 4-(1-naphthalenylmethylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide hydrochloride IUPAC Name: 4-(naphthalen-1-ylmethylamino)-3-nitro-N'-propan-2-ylbenzenecarboximidamide hydrochloride Traditional Name: N'-isopropyl-4-(1-naphthylmethylamino)-3-nitro-benzamidine hydrochloride Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2.ClH/c1-14(2)24-21(22)16-10-11-19(20(12-16)25(26)27)23-13-17-8-5-7-15-6-3-4-9-18(15)17;/h3-12,14,23H,13H2,1-2H3,(H2,22,24);1H