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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-propan-2-yl-3-indolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-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-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O/c1-18(2)9-11-25-13-12-24(17-21(25)10-14-27)15-20-16-26(19(3)4)23-8-6-5-7-22(20)23/h5-9,16,19,21,27H,10-15,17H2,1-4H3/p+1/t21-/m0/s1