7-methoxy-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol

Systemtic Name: 7-methoxy-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol Openeye Name: 7-methoxy-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol CAS Name: 7-methoxy-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 7-methoxy-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol Traditional Name: 7-methoxy-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-naphthol Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C21H23N3O2/c1-26-17-7-5-16-6-8-20(25)19(18(16)14-17)15-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-9,14,25H,10-13,15H2,1H3/p+2