N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C25H34N5O3+ MolecularWeight: 452.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O3/c1-3-27-14-16-29(17-15-27)22-7-5-4-6-21(22)26-25(31)20-8-9-23(24(18-20)30(32)33)28-12-10-19(2)11-13-28/h4-9,18-19H,3,10-17H2,1-2H3,(H,26,31)/p+1