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

Systemtic Name: ethyl 4-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-4-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(R)-(2-methyl-1H-indol-3-yl)-(4-pyridyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(R)-(2-methyl-1H-indol-3-yl)-(4-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=NC=C2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

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

InChI

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