(3R)-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-(4-benzhydrylpiperazin-4-ium-1-yl)-5-keto-3-methyl-valerate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-18(17-22(27)28)16-21(26)24-12-14-25(15-13-24)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,23H,12-17H2,1H3,(H,27,28)/t18-/m1/s1