N-(3-chloranyl-2-methyl-phenyl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-[[(3,5-dimethylanilino)-oxomethyl]amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-ium-1-yl]acetamide Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C)C

InChI

InChI=1S/C23H29ClN4O2/c1-15-11-16(2)13-19(12-15)26-23(30)25-18-7-9-28(10-8-18)14-22(29)27-21-6-4-5-20(24)17(21)3/h4-6,11-13,18H,7-10,14H2,1-3H3,(H,27,29)(H2,25,26,30)/p+1