(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N3O2/c1-17(21(26)22(2)16-18-8-4-3-5-9-18)23-12-14-24(15-13-23)19-10-6-7-11-20(19)25/h3-11,17,25H,12-16H2,1-2H3/p+1/t17-/m1/s1