2-[4-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline

Systemtic Name: 2-[4-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonyl-quinazoline Openeye Name: 2-[4-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]-1-piperidyl]-4-methyl-7-methylsulfonyl-quinazoline CAS Name: 2-[4-[(2R)-2-(2-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-piperidinyl]-4-methyl-7-methylsulfonylquinazoline IUPAC Name: 2-[4-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-4-methyl-7-methylsulfonylquinazoline Traditional Name: 7-mesyl-2-[4-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]piperidino]-4-methyl-quinazoline Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCCC4C5=CC=CC=C5OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)[NH+]4CCC[C@@H]4C5=CC=CC=C5OC

InChI

InChI=1S/C26H32N4O3S/c1-18-21-11-10-20(34(3,31)32)17-23(21)28-26(27-18)29-15-12-19(13-16-29)30-14-6-8-24(30)22-7-4-5-9-25(22)33-2/h4-5,7,9-11,17,19,24H,6,8,12-16H2,1-3H3/p+1/t24-/m1/s1