2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(1,3,5-trimethyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(1,3,5-trimethylpiperidin-1-ium-1-yl)ethyl ester Formula: C18H28ClN2O3+ MolecularWeight: 355.87952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](C1)(C)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl)C

Isomeric SMILES

CC1CC(C[N+](C1)(C)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl)C

InChI

InChI=1S/C18H27ClN2O3/c1-12-7-13(2)11-21(3,10-12)5-6-24-18(22)14-8-15(19)16(20)9-17(14)23-4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H-,20,22)/p+1