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

Systemtic Name: (2S)-2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-3-29-20-10-8-19(9-11-20)24-21(27)16(2)25-12-14-26(15-13-25)22(28)17-4-6-18(23)7-5-17/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1