(2S)-2-[4-(4-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H25N3O4/c1-15(20(26)22-18-5-3-4-6-19(18)28-2)23-11-13-24(14-12-23)21(27)16-7-9-17(25)10-8-16/h3-10,15,25H,11-14H2,1-2H3,(H,22,26)/p+1/t15-/m0/s1