N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-keto-1-methyl-quinoline-3-carboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3CCC[NH+](C3)CC4CCCCC4

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N[C@H]3CCC[NH+](C3)CC4CCCCC4

InChI

InChI=1S/C23H31N3O2/c1-25-16-20(22(27)19-11-5-6-12-21(19)25)23(28)24-18-10-7-13-26(15-18)14-17-8-3-2-4-9-17/h5-6,11-12,16-18H,2-4,7-10,13-15H2,1H3,(H,24,28)/p+1/t18-/m0/s1