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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropylindol-3-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[(1-propan-2-yl-3-indolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(1-propan-2-ylindol-3-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropylindol-3-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H39N4O+ MolecularWeight: 399.59266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CC=C21)CN3CC[NH+](C(C3)CCO)C4CCN(CC4)C

Isomeric SMILES

CC(C)N1C=C(C2=CC=CC=C21)CN3CC[NH+]([C@H](C3)CCO)C4CCN(CC4)C

InChI

InChI=1S/C24H38N4O/c1-19(2)28-17-20(23-6-4-5-7-24(23)28)16-26-13-14-27(22(18-26)10-15-29)21-8-11-25(3)12-9-21/h4-7,17,19,21-22,29H,8-16,18H2,1-3H3/p+1/t22-/m0/s1