[(2S,4S)-4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride

Systemtic Name: [(2S,4S)-4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Openeye Name: [(2S,4S)-4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride CAS Name: [(2S,4S)-4-[4-(5-methoxy-1,2-benzoxazol-3-yl)-1-piperazinyl]-2-pyrrolidinyl]-(3-thiazolidinyl)methanone trihydrochloride IUPAC Name: [(2S,4S)-4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone trihydrochloride Traditional Name: [(2S,4S)-4-[4-(5-methoxyindoxazen-3-yl)piperazino]pyrrolidin-2-yl]-thiazolidin-3-yl-methanone trihydrochloride Formula: C20H30Cl3N5O3S MolecularWeight: 526.9079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5.Cl.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)ON=C2N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5.Cl.Cl.Cl

InChI

InChI=1S/C20H27N5O3S.3ClH/c1-27-15-2-3-18-16(11-15)19(22-28-18)24-6-4-23(5-7-24)14-10-17(21-12-14)20(26)25-8-9-29-13-25;;;/h2-3,11,14,17,21H,4-10,12-13H2,1H3;3*1H/t14-,17-;;;/m0.../s1