2-[(2S)-4-[(1,2-dimethylindol-3-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1,2-dimethylindol-3-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,2-dimethylindol-3-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,2-dimethyl-3-indolyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,2-dimethylindol-3-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,2-dimethylindol-3-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Formula: C23H38N4O+2 MolecularWeight: 386.57402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCN(C(C3)CCO)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCN([C@H](C3)CCO)C4CC[NH+](CC4)C

InChI

InChI=1S/C23H36N4O/c1-18-22(21-6-4-5-7-23(21)25(18)3)17-26-13-14-27(20(16-26)10-15-28)19-8-11-24(2)12-9-19/h4-7,19-20,28H,8-17H2,1-3H3/p+2/t20-/m0/s1