(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-[(4-methoxyphenyl)methyl]-3-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-p-anisyl-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-29-18-6-4-16(5-7-18)15-25-20(26)14-19(22(25)28)23-12-8-17(9-13-23)21(27)24-10-2-3-11-24/h4-7,17,19H,2-3,8-15H2,1H3/p+1/t19-/m1/s1