N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)N(C)CCO

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)N(C)CCO

InChI

InChI=1S/C21H28N6O2/c1-15-18(17-5-3-4-6-19(17)22-15)13-26-9-7-16(8-10-26)27-14-20(23-24-27)21(29)25(2)11-12-28/h3-6,14,16,22,28H,7-13H2,1-2H3/p+1