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

Systemtic Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-indolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O/c1-24-16-20(22-9-5-6-10-23(22)24)17-25-12-13-26(21(18-25)11-14-27)15-19-7-3-2-4-8-19/h2-10,16,21,27H,11-15,17-18H2,1H3/p+1/t21-/m0/s1