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

Systemtic Name: ethyl 4-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-methyl-1H-indol-3-yl)-(3-pyridin-1-iumyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-methyl-1H-indol-3-yl)-pyridin-1-ium-3-yl-methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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