2-nitro-N-phenethyl-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: 2-nitro-N-phenethyl-5-piperazin-4-ium-1-yl-aniline Openeye Name: 2-nitro-N-phenethyl-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-N-phenethyl-5-(1-piperazin-4-iumyl)aniline IUPAC Name: 2-nitro-N-phenethyl-5-piperazin-4-ium-1-ylaniline Traditional Name: (2-nitro-5-piperazin-4-ium-1-yl-phenyl)-phenethyl-amine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c23-22(24)18-7-6-16(21-12-10-19-11-13-21)14-17(18)20-9-8-15-4-2-1-3-5-15/h1-7,14,19-20H,8-13H2/p+1