4-azanyl-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methyl-benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-azanyl-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methyl-benzamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methyl-benzamide; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 4-amino-N-(1-cyclohexyl-3-pyrrolidin-1-iumyl)-N-methylbenzamide; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methyl-benzamide; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC[NH+](C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CN(C1CC[NH+](C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H27N3O.C4H4O4/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h7-10,16-17H,2-6,11-13,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+