4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-nitro-benzamide Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-nitro-benzamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O3/c1-2-16-5-7-17(8-6-16)10-12-4-3-11(14(15)19)9-13(12)18(20)21/h3-4,9H,2,5-8,10H2,1H3,(H2,15,19)/p+1