N-(2-methoxyethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-(2-methoxyethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-(2-methoxyethyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-(2-methoxyethyl)-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-(2-methoxyethyl)-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: 2-methoxyethyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-20-9-6-15-12-10-11(2-3-13(12)17(18)19)16-7-4-14-5-8-16/h2-3,10,14-15H,4-9H2,1H3/p+1