2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C)CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C)CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C18H27N3O/c1-13-4-5-17-16(10-13)14(2)18(19-17)12-21-8-7-20(3)15(11-21)6-9-22/h4-5,10,15,19,22H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1