N-[1-[[3,3-diethyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[[3,3-diethyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(3,3-diethyl-2,5-dioxo-pyrrolidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(3,3-diethyl-2,5-dioxo-1-pyrrolidinyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(3,3-diethyl-2,5-diketo-pyrrolidino)methyl]piperidin-1-ium-4-yl]benzamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C1=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(CC(=O)N(C1=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H29N3O3/c1-3-21(4-2)14-18(25)24(20(21)27)15-23-12-10-17(11-13-23)22-19(26)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,22,26)/p+1