2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(1-methylindol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-indolyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(1-methylindol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C20H31N3O/c1-16(2)12-23-10-9-22(15-18(23)8-11-24)14-17-13-21(3)20-7-5-4-6-19(17)20/h4-7,13,16,18,24H,8-12,14-15H2,1-3H3/p+1/t18-/m0/s1