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

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3/c1-4-29-21-8-6-5-7-19(21)26-13-11-25(12-14-26)16(2)22(27)24-18-15-17(23)9-10-20(18)28-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)/p+1/t16-/m1/s1