[7-chloranyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [7-chloranyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [7-chloro-2-[(3S)-3-hydroxy-1-piperidyl]quinolin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [7-chloro-2-[(3S)-3-hydroxy-1-piperidinyl]-3-quinolin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [7-chloro-2-[(3S)-3-hydroxypiperidin-1-yl]quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [7-chloro-2-[(3S)-3-hydroxypiperidino]quinolin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C20H24ClN3OS+2 MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CC4=CC=CS4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CC4=CC=CS4)O

InChI

InChI=1S/C20H22ClN3OS/c21-16-6-5-14-9-15(11-22-12-18-4-2-8-26-18)20(23-19(14)10-16)24-7-1-3-17(25)13-24/h2,4-6,8-10,17,22,25H,1,3,7,11-13H2/p+2/t17-/m0/s1