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

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-p-anisyl-propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H27N3O3/c1-16(21(26)22-15-17-3-9-20(27-2)10-4-17)23-11-13-24(14-12-23)18-5-7-19(25)8-6-18/h3-10,16,25H,11-15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1