N-[1-[[3-cyano-1-oxidanidyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-[[3-cyano-1-oxidanidyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[2-[(1-benzyl-3-cyano-1-oxido-pyrrolidin-1-ium-3-yl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-[[3-cyano-1-oxido-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-[(1-benzyl-3-cyano-1-oxidopyrrolidin-1-ium-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[2-[(1-benzyl-3-cyano-1-oxido-pyrrolidin-1-ium-3-yl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxamide Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CC[N+](C2)(CC3=CC=CC=C3)[O-])C#N)NC(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CC[N+](C2)(CC3=CC=CC=C3)[O-])C#N)NC(=O)N4CCOCC4

InChI

InChI=1S/C26H37N5O4/c27-19-26(11-14-31(34,20-26)18-22-9-5-2-6-10-22)29-24(32)23(17-21-7-3-1-4-8-21)28-25(33)30-12-15-35-16-13-30/h2,5-6,9-10,21,23H,1,3-4,7-8,11-18,20H2,(H,28,33)(H,29,32)