3-(4-aminocarbonylpiperidin-1-ium-1-yl)propyl-[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 3-(4-aminocarbonylpiperidin-1-ium-1-yl)propyl-[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 3-(4-carbamoylpiperidin-1-ium-1-yl)propyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 3-(4-carbamoyl-1-piperidin-1-iumyl)propyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 3-(4-carbamoylpiperidin-1-ium-1-yl)propyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: 3-(4-carbamoylpiperidin-1-ium-1-yl)propyl-[(3R)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]ammonium Formula: C21H32N4O4+2 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+]CCC[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)/p+2/t18-/m1/s1