6-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline

Systemtic Name: 6-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Openeye Name: 6-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline CAS Name: 6-methoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]quinazoline IUPAC Name: 6-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazoline Traditional Name: 6-methoxy-4-(4-pyridin-1-ium-2-ylpiperazino)quinazoline Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5O/c1-24-14-5-6-16-15(12-14)18(21-13-20-16)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12-13H,8-11H2,1H3/p+1