(2-chloranyl-6-methoxy-4-piperidin-1-yl-quinolin-1-ium-3-yl)methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: (2-chloranyl-6-methoxy-4-piperidin-1-yl-quinolin-1-ium-3-yl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-chloro-6-methoxy-4-(1-piperidyl)quinolin-1-ium-3-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-chloro-6-methoxy-4-(1-piperidinyl)-3-quinolin-1-iumyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (2-chloro-6-methoxy-4-piperidin-1-ylquinolin-1-ium-3-yl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (2-chloro-6-methoxy-4-piperidino-quinolin-1-ium-3-yl)methyl-(3-pyridylmethyl)ammonium Formula: C22H27ClN4O+2 MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N3CCCCC3)C[NH2+]CC4=CN=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(C(=C2N3CCCCC3)C[NH2+]CC4=CN=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O/c1-28-17-7-8-20-18(12-17)21(27-10-3-2-4-11-27)19(22(23)26-20)15-25-14-16-6-5-9-24-13-16/h5-9,12-13,25H,2-4,10-11,14-15H2,1H3/p+2