2-(phenoxymethyl)-1-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]benzimidazole

Systemtic Name: 2-(phenoxymethyl)-1-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]benzimidazole Openeye Name: 2-(phenoxymethyl)-1-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]benzimidazole CAS Name: 2-(phenoxymethyl)-1-[[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzimidazole IUPAC Name: 2-(phenoxymethyl)-1-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]benzimidazole Traditional Name: 2-(phenoxymethyl)-1-[(4-pyridin-1-ium-4-ylpiperazino)methyl]benzimidazole Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=[NH+]C=C5

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=[NH+]C=C5

InChI

InChI=1S/C24H25N5O/c1-2-6-21(7-3-1)30-18-24-26-22-8-4-5-9-23(22)29(24)19-27-14-16-28(17-15-27)20-10-12-25-13-11-20/h1-13H,14-19H2/p+1