(2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-3-27-20-9-7-18(8-10-20)23-21(26)16(2)24-11-13-25(14-12-24)19-6-4-5-17(22)15-19/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1