(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC(=C3)C

InChI

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