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

Systemtic Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-indolyl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c1-25-17-21(23-9-5-6-10-24(23)25)18-26-14-15-27(22(19-26)12-16-28)13-11-20-7-3-2-4-8-20/h2-10,17,22,28H,11-16,18-19H2,1H3/p+1/t22-/m0/s1