[4-(1-methylpiperazin-1-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone hydrochloride

Systemtic Name: [4-(1-methylpiperazin-1-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone hydrochloride Openeye Name: [4-(1-methylpiperazin-1-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone hydrochloride CAS Name: [4-(1-methyl-1-piperazin-1-iumyl)-3-nitrophenyl]-phenylmethanone hydrochloride IUPAC Name: [4-(1-methylpiperazin-1-ium-1-yl)-3-nitrophenyl]-phenylmethanone hydrochloride Traditional Name: [4-(1-methylpiperazin-1-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone hydrochloride Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C[N+]1(CCNCC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H20N3O3.ClH/c1-21(11-9-19-10-12-21)17-8-7-15(13-16(17)20(23)24)18(22)14-5-3-2-4-6-14;/h2-8,13,19H,9-12H2,1H3;1H/q+1;