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

Systemtic Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C22H29N3O2/c1-16-6-5-7-19(14-16)25-12-10-24(11-13-25)18(3)22(26)23-20-15-17(2)8-9-21(20)27-4/h5-9,14-15,18H,10-13H2,1-4H3,(H,23,26)/p+1/t18-/m1/s1