2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C)N=N4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C)N=N4

InChI

InChI=1S/C23H27N5O/c1-16-7-8-22-20(13-16)24-25-28(22)19-9-11-26(12-10-19)15-23(29)27-17(2)14-18-5-3-4-6-21(18)27/h3-8,13,17,19H,9-12,14-15H2,1-2H3/p+1/t17-/m0/s1