N-(furan-2-ylmethyl)-N-[[7-methyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-[[7-methyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-(2-furylmethyl)-N-[[2-[(3S)-3-hydroxy-1-piperidyl]-7-methyl-quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-(2-furanylmethyl)-N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-7-methyl-3-quinolin-1-iumyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-7-methylquinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-(2-furfuryl)-N-[[2-[(3S)-3-hydroxypiperidino]-7-methyl-quinolin-1-ium-3-yl]methyl]cyclohexanecarboxamide Formula: C28H36N3O3+ MolecularWeight: 462.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CCCCC4)N5CCCC(C5)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CCCCC4)N5CCC[C@@H](C5)O

InChI

InChI=1S/C28H35N3O3/c1-20-11-12-22-16-23(27(29-26(22)15-20)30-13-5-9-24(32)18-30)17-31(19-25-10-6-14-34-25)28(33)21-7-3-2-4-8-21/h6,10-12,14-16,21,24,32H,2-5,7-9,13,17-19H2,1H3/p+1/t24-/m0/s1