(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenylphenyl)amino]propan-1-one

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(4-phenylphenyl)amino]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenylanilino)propan-1-one CAS Name: (2R)-2-(4-phenylanilino)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenylanilino)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenylanilino)propan-1-one Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-21(27-25-14-12-24(13-15-25)23-10-6-3-7-11-23)26(30)29-18-16-28(17-19-29)20-22-8-4-2-5-9-22/h2-15,21,27H,16-20H2,1H3/p+1/t21-/m1/s1