(3S)-1-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3-methoxyphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-28-20-9-5-8-19(15-20)25-22(26)16-21(23(25)27)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-9,15,18,21H,10-14,16H2,1H3/p+1/t21-/m0/s1