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

Systemtic Name: ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-methyl-1H-indol-3-yl)-(3-pyridin-1-iumyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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