2-nitro-5-piperazin-4-ium-1-yl-N-prop-2-enyl-aniline

Systemtic Name: 2-nitro-5-piperazin-4-ium-1-yl-N-prop-2-enyl-aniline Openeye Name: N-allyl-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-5-(1-piperazin-4-iumyl)-N-prop-2-enylaniline IUPAC Name: 2-nitro-5-piperazin-4-ium-1-yl-N-prop-2-enylaniline Traditional Name: allyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C13H19N4O2+ MolecularWeight: 263.31556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O2/c1-2-5-15-12-10-11(3-4-13(12)17(18)19)16-8-6-14-7-9-16/h2-4,10,14-15H,1,5-9H2/p+1