1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-[(2R)-2-methylindolin-1-yl]ethanone CAS Name: 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-[(2R)-2-methylindolin-1-yl]ethanone Formula: C22H29N3O+2 MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c1-18-15-20-9-5-6-10-21(20)25(18)22(26)17-24-13-11-23(12-14-24)16-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/p+2/t18-/m1/s1