N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C24H31ClN5O3+ MolecularWeight: 472.98764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H30ClN5O3/c1-2-27-12-14-29(15-13-27)21-9-7-19(17-20(21)25)26-24(31)18-6-8-22(23(16-18)30(32)33)28-10-4-3-5-11-28/h6-9,16-17H,2-5,10-15H2,1H3,(H,26,31)/p+1