(3-propan-2-yloxyphenyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CN=C(S3)N4CCCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C23H31N3O2S/c1-17(2)28-20-9-5-7-18(13-20)22(27)19-8-6-10-25(15-19)16-21-14-24-23(29-21)26-11-3-4-12-26/h5,7,9,13-14,17,19H,3-4,6,8,10-12,15-16H2,1-2H3/p+1/t19-/m0/s1