N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclobutylmethylcarbamoylamino)phenyl]carbonyl-1-oxidanidyl-piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclobutylmethylcarbamoylamino)phenyl]carbonyl-1-oxidanidyl-piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclobutylmethylcarbamoylamino)benzoyl]-1-oxido-piperazin-1-ium-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[3-chloro-4-[[(cyclobutylmethylamino)-oxomethyl]amino]phenyl]-oxomethyl]-1-oxido-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclobutylmethylcarbamoylamino)benzoyl]-1-oxidopiperazin-1-ium-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclobutylmethylcarbamoylamino)benzoyl]-1-oxido-piperazin-1-ium-1-yl]methyl]benzamide Formula: C29H38ClN5O4 MolecularWeight: 556.09612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)C[N+]2(CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CCC4)Cl)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)C[N+]2(CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CCC4)Cl)[O-]

InChI

InChI=1S/C29H38ClN5O4/c1-29(2,3)33-26(36)22-9-5-8-21(16-22)19-35(39)14-12-34(13-15-35)27(37)23-10-11-25(24(30)17-23)32-28(38)31-18-20-6-4-7-20/h5,8-11,16-17,20H,4,6-7,12-15,18-19H2,1-3H3,(H,33,36)(H2,31,32,38)