2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N3O2/c1-16-6-7-20(26-16)15-24-10-9-23(14-19(24)8-11-25)13-18-12-17-4-2-3-5-21(17)22-18/h2-7,12,19,22,25H,8-11,13-15H2,1H3/p+1/t19-/m0/s1