ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-yl-methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3O2/c1-3-28-23(27)17-11-14-26(15-12-17)22(20-10-6-7-13-24-20)21-16(2)25-19-9-5-4-8-18(19)21/h4-10,13,17,22,25H,3,11-12,14-15H2,1-2H3/p+1/t22-/m1/s1