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

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2R)-N-(4-methylbenzyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O2/c1-4-28-22-8-6-5-7-21(22)26-15-13-25(14-16-26)19(3)23(27)24-17-20-11-9-18(2)10-12-20/h5-12,19H,4,13-17H2,1-3H3,(H,24,27)/p+1/t19-/m1/s1