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

Systemtic Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(S)-(2-methyl-1H-indol-3-yl)-(2-pyridyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H26N4O2/c1-3-28-22(27)26-14-12-25(13-15-26)21(19-10-6-7-11-23-19)20-16(2)24-18-9-5-4-8-17(18)20/h4-11,21,24H,3,12-15H2,1-2H3/p+1/t21-/m1/s1