(5S)-2-oxidanyl-5-[(2S,8R)-2-oxidanyl-8-phenylmethoxy-nonyl]pyrrolidine-1-carboximidamide hydrochloride

Systemtic Name: (5S)-2-oxidanyl-5-[(2S,8R)-2-oxidanyl-8-phenylmethoxy-nonyl]pyrrolidine-1-carboximidamide hydrochloride Openeye Name: (2S)-2-[(2S,8R)-8-benzyloxy-2-hydroxy-nonyl]-5-hydroxy-pyrrolidine-1-carboxamidine hydrochloride CAS Name: (5S)-2-hydroxy-5-[(2S,8R)-2-hydroxy-8-phenylmethoxynonyl]-1-pyrrolidinecarboximidamide hydrochloride IUPAC Name: (5S)-2-hydroxy-5-[(2S,8R)-2-hydroxy-8-phenylmethoxynonyl]pyrrolidine-1-carboximidamide hydrochloride Traditional Name: (2S)-2-[(2S,8R)-8-benzoxy-2-hydroxy-nonyl]-5-hydroxy-pyrrolidine-1-carboxamidine hydrochloride Formula: C21H36ClN3O3 MolecularWeight: 413.98184

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(CC1CCC(N1C(=N)N)O)O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

C[C@H](CCCCC[C@@H](C[C@@H]1CCC(N1C(=N)N)O)O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C21H35N3O3.ClH/c1-16(27-15-17-9-5-3-6-10-17)8-4-2-7-11-19(25)14-18-12-13-20(26)24(18)21(22)23;/h3,5-6,9-10,16,18-20,25-26H,2,4,7-8,11-15H2,1H3,(H3,22,23);1H/t16-,18+,19+,20?;/m1./s1