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propyl 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate

propyl 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate

Systemtic Name:propyl 2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate
Openeye Name:propyl 4-hydroxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylate
CAS Name:4-hydroxy-2-methyl-3-[(3-methyl-1-piperidin-1-iumyl)methyl]-6-quinolin-1-iumcarboxylic acid propyl ester
IUPAC Name:propyl 4-hydroxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylate
Traditional Name:4-hydroxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylic acid propyl ester
Formula: C21H30N2O3+2
MolecularWeight: 358.4745
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCC(C3)C)C


Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCC(C3)C)C


InChI

InChI=1S/C21H28N2O3/c1-4-10-26-21(25)16-7-8-19-17(11-16)20(24)18(15(3)22-19)13-23-9-5-6-14(2)12-23/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,22,24)/p+2


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