(1R)-1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanol Openeye Name: (1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanol CAS Name: (1R)-1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: (1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanol Traditional Name: (1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanol Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@H](C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H27N3O2/c1-27-18-7-8-21-19(13-18)20(14-23-21)22(26)16-25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14,22-23,26H,9-12,15-16H2,1H3/p+2/t22-/m0/s1