methyl 4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzoate

Systemtic Name: methyl 4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzoate Openeye Name: methyl 4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzoate CAS Name: 4-[4-[(3R)-3-methyl-1-piperidin-1-iumyl]butoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzoate Traditional Name: 4-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butoxy]benzoic acid methyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H27NO3/c1-15-6-5-12-19(14-15)11-3-4-13-22-17-9-7-16(8-10-17)18(20)21-2/h7-10,15H,3-6,11-14H2,1-2H3/p+1/t15-/m1/s1