(2R)-N-(4-phenylmethoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(4-phenylmethoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-benzoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-21(28-16-18-29(19-17-28)24-10-6-3-7-11-24)26(30)27-23-12-14-25(15-13-23)31-20-22-8-4-2-5-9-22/h2-15,21H,16-20H2,1H3,(H,27,30)/p+1/t21-/m1/s1