(2-chloranyl-6-methoxy-4-piperidin-1-yl-quinolin-1-ium-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (2-chloranyl-6-methoxy-4-piperidin-1-yl-quinolin-1-ium-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [2-chloro-6-methoxy-4-(1-piperidyl)quinolin-1-ium-3-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [2-chloro-6-methoxy-4-(1-piperidinyl)-3-quinolin-1-iumyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (2-chloro-6-methoxy-4-piperidin-1-ylquinolin-1-ium-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (2-chloro-6-methoxy-4-piperidino-quinolin-1-ium-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H30ClN3O2+2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N3CCCCC3)C[NH2+]CC4CCCO4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N3CCCCC3)C[NH2+]C[C@H]4CCCO4)Cl

InChI

InChI=1S/C21H28ClN3O2/c1-26-15-7-8-19-17(12-15)20(25-9-3-2-4-10-25)18(21(22)24-19)14-23-13-16-6-5-11-27-16/h7-8,12,16,23H,2-6,9-11,13-14H2,1H3/p+2/t16-/m1/s1