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

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-N-(3-methoxyphenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-4-28-21-11-6-5-10-20(21)25-14-12-24(13-15-25)17(2)22(26)23-18-8-7-9-19(16-18)27-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1