ethyl 1-[(R)-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-yl-methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(R)-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(R)-(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-pyridinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-pyridyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C24H31N3O3S/c1-3-30-24(29)17-10-13-27(14-11-17)22(18-7-6-12-25-15-18)21-19-8-4-5-9-20(19)31-23(21)26-16(2)28/h6-7,12,15,17,22H,3-5,8-11,13-14H2,1-2H3,(H,26,28)/p+1/t22-/m1/s1