(2S)-N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-o-phenetyl-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OCC

InChI

InChI=1S/C23H31N3O3/c1-4-28-21-12-8-6-10-19(21)24-23(27)18(3)25-14-16-26(17-15-25)20-11-7-9-13-22(20)29-5-2/h6-13,18H,4-5,14-17H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1