ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27ClNO3S+ MolecularWeight: 396.95128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C3=CC=CC=C3S2)Cl)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C3=CC=CC=C3S2)Cl)CCOC

InChI

InChI=1S/C20H26ClNO3S/c1-3-25-19(23)20(10-13-24-2)8-11-22(12-9-20)14-17-18(21)15-6-4-5-7-16(15)26-17/h4-7H,3,8-14H2,1-2H3/p+1