2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline dihydrochloride

Systemtic Name: 2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline dihydrochloride Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitro-aniline dihydrochloride CAS Name: 2-methyl-4-nitro-5-[4-(phenylmethyl)-1-piperazinyl]aniline dihydrochloride IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline dihydrochloride Traditional Name: [5-(4-benzylpiperazino)-2-methyl-4-nitro-phenyl]amine dihydrochloride Formula: C18H24Cl2N4O2 MolecularWeight: 399.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C18H22N4O2.2ClH/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15;;/h2-6,11-12H,7-10,13,19H2,1H3;2*1H