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

Systemtic Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-(m-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-5-(m-tolyl)-2-(4-pyridyl)pyrimidine Formula: C30H31N4O3+ MolecularWeight: 495.59214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C6=CC=NC=C6

InChI

InChI=1S/C30H30N4O3/c1-20-4-3-5-24(14-20)25-17-32-30(23-6-10-31-11-7-23)33-28(25)22-8-12-34(13-9-22)18-21-15-26(35-2)29-27(16-21)36-19-37-29/h3-7,10-11,14-17,22H,8-9,12-13,18-19H2,1-2H3/p+1