(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H26ClN3OS/c1-15-5-6-17(21)14-19(15)24-11-9-23(10-12-24)16(2)20(25)22-8-7-18-4-3-13-26-18/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1