N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)benzamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)benzamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H26ClN3O3/c1-15-12-19(20(29-2)13-17(15)23)25-22(28)16-8-4-5-9-18(16)24-21(27)14-26-10-6-3-7-11-26/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,24,27)(H,25,28)/p+1