N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-N-cyclopropyl-2-nitro-aniline CAS Name: N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-N-cyclopropyl-2-nitroaniline Traditional Name: [5-(4-benzylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-cyclopropyl-amine Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O2/c25-24(26)20-9-8-18(14-19(20)21-17-6-7-17)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-5,8-9,14,17,21H,6-7,10-13,15H2/p+1