2-[4-[(3R)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(3R)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[(3R)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(3R)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3R)-1-(4-chlorobenzoyl)nipecotoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H30ClN4O3+ MolecularWeight: 433.9516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H29ClN4O3/c23-18-5-3-16(4-6-18)21(29)27-9-1-2-17(14-27)22(30)26-12-10-25(11-13-26)15-20(28)24-19-7-8-19/h3-6,17,19H,1-2,7-15H2,(H,24,28)/p+1/t17-/m1/s1