N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: methyl-[2-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]-veratryl-amine Formula: C29H34N5O2+ MolecularWeight: 484.61256

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC[C@@H]4C5=CN=CC=C5

InChI

InChI=1S/C29H33N5O2/c1-33(19-21-13-14-26(35-2)27(17-21)36-3)29-23-10-4-5-11-24(23)31-28(32-29)20-34-16-7-6-12-25(34)22-9-8-15-30-18-22/h4-5,8-11,13-15,17-18,25H,6-7,12,16,19-20H2,1-3H3/p+1/t25-/m1/s1