5-(3-methylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline hydrochloride

Systemtic Name: 5-(3-methylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline hydrochloride Openeye Name: N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitro-aniline hydrochloride CAS Name: 5-(3-methyl-1-piperazinyl)-2-nitro-N-(phenylmethyl)aniline hydrochloride IUPAC Name: N-benzyl-5-(3-methylpiperazin-1-yl)-2-nitroaniline hydrochloride Traditional Name: benzyl-[5-(3-methylpiperazino)-2-nitro-phenyl]amine hydrochloride Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3.Cl

Isomeric SMILES

CC1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3.Cl

InChI

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