N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O2/c1-16-5-3-4-6-19(16)25-13-11-24(12-14-25)10-9-21(26)23-18-15-17(22)7-8-20(18)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1