N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-methylindolin-5-yl)methyl]-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]-N-[(1-methylindolin-5-yl)methyl]acetamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)CNC(=O)CC3C(=O)NCC[NH+]3CC4=CN=CC=C4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CN=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-26-9-6-18-11-16(4-5-19(18)26)14-25-21(28)12-20-22(29)24-8-10-27(20)15-17-3-2-7-23-13-17/h2-5,7,11,13,20H,6,8-10,12,14-15H2,1H3,(H,24,29)(H,25,28)/p+1/t20-/m1/s1