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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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