1-[2-(4-methoxyphenyl)indol-1-yl]-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol

Systemtic Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol CAS Name: 1-[2-(4-methoxyphenyl)-1-indolyl]-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol Traditional Name: 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol Formula: C29H35N3O2+2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C29H33N3O2/c1-34-27-13-11-24(12-14-27)29-19-25-9-5-6-10-28(25)32(29)22-26(33)21-31-17-15-30(16-18-31)20-23-7-3-2-4-8-23/h2-14,19,26,33H,15-18,20-22H2,1H3/p+2