2-[(4S)-4-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-ium-1-yl]azepan-1-yl]-4-methyl-7-methylsulfonyl-quinazoline

Systemtic Name: 2-[(4S)-4-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-ium-1-yl]azepan-1-yl]-4-methyl-7-methylsulfonyl-quinazoline Openeye Name: 2-[(4S)-4-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-ium-1-yl]azepan-1-yl]-4-methyl-7-methylsulfonyl-quinazoline CAS Name: 2-[(4S)-4-[(3S)-3-(2-chlorophenyl)-1-pyrrolidin-1-iumyl]-1-azepanyl]-4-methyl-7-methylsulfonylquinazoline IUPAC Name: 2-[(4S)-4-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-ium-1-yl]azepan-1-yl]-4-methyl-7-methylsulfonylquinazoline Traditional Name: 2-[(4S)-4-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-ium-1-yl]azepan-1-yl]-7-mesyl-4-methyl-quinazoline Formula: C26H32ClN4O2S+ MolecularWeight: 500.07588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)[NH+]4CCC(C4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](CC3)[NH+]4CC[C@H](C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H31ClN4O2S/c1-18-22-10-9-21(34(2,32)33)16-25(22)29-26(28-18)30-13-5-6-20(12-15-30)31-14-11-19(17-31)23-7-3-4-8-24(23)27/h3-4,7-10,16,19-20H,5-6,11-15,17H2,1-2H3/p+1/t19-,20+/m1/s1