N-(2-ethylphenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H25N5O3+2 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3/c1-2-15-6-3-4-7-16(15)21-18(25)14-22-10-12-23(13-11-22)19-17(24(26)27)8-5-9-20-19/h3-9H,2,10-14H2,1H3,(H,21,25)/p+2