4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-phenyl-2-pyridin-3-yl-pyrimidine

Systemtic Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-phenyl-2-pyridin-3-yl-pyrimidine Openeye Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-phenyl-2-(3-pyridyl)pyrimidine CAS Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-5-phenyl-2-(3-pyridinyl)pyrimidine IUPAC Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-phenyl-2-pyridin-3-ylpyrimidine Traditional Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-phenyl-2-(3-pyridyl)pyrimidine Formula: C29H29N4O3+ MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)C4=NC(=NC=C4C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C29H28N4O3/c1-34-25-14-20(15-26-28(25)36-19-35-26)18-33-12-9-22(10-13-33)27-24(21-6-3-2-4-7-21)17-31-29(32-27)23-8-5-11-30-16-23/h2-8,11,14-17,22H,9-10,12-13,18-19H2,1H3/p+1