3-(5-methoxyindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(5-methoxyindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(5-methoxyindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(5-methoxy-1-indolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(5-methoxyindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(5-methoxyindol-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O2/c1-27-18-5-6-19-17(16-18)7-10-23(19)11-8-21(26)25-14-12-24(13-15-25)20-4-2-3-9-22-20/h2-7,9-10,16H,8,11-15H2,1H3/p+1