(3R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-5-pyrrolidin-1-yl-pentane-1,5-dione

Systemtic Name: (3R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-5-pyrrolidin-1-yl-pentane-1,5-dione Openeye Name: (3R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-5-pyrrolidin-1-yl-pentane-1,5-dione CAS Name: (3R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-5-(1-pyrrolidinyl)pentane-1,5-dione IUPAC Name: (3R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-5-pyrrolidin-1-ylpentane-1,5-dione Traditional Name: (3R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-5-pyrrolidino-pentane-1,5-dione Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCC1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)N1CCCC1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-22(20-25(31)28-14-8-9-15-28)21-26(32)29-16-18-30(19-17-29)27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,27H,8-9,14-21H2,1H3/p+1/t22-/m1/s1