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

Systemtic Name: (2R)-N-(diphenylmethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(diphenylmethyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H29N3O2/c1-20(28-16-18-29(19-17-28)23-12-14-24(30)15-13-23)26(31)27-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25,30H,16-19H2,1H3,(H,27,31)/p+1/t20-/m1/s1