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

Systemtic Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-methylindolin-5-yl)methyl]-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-[(1-methylindolin-5-yl)methyl]acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)CNC(=O)CC3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H30N4O2/c1-30-12-10-23-14-19(7-9-24(23)30)17-29-26(32)16-25-27(33)28-11-13-31(25)18-20-6-8-21-4-2-3-5-22(21)15-20/h2-9,14-15,25H,10-13,16-18H2,1H3,(H,28,33)(H,29,32)/p+1/t25-/m1/s1