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

Systemtic Name: (2R)-2-[(4-methylphenyl)amino]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylanilino)propan-1-one CAS Name: (2R)-2-(4-methylanilino)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylanilino)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(p-toluidino)propan-1-one Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-10-20(11-9-17)22-18(2)21(25)24-14-12-23(13-15-24)16-19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3/p+1/t18-/m1/s1