2-azaniumylethanoyl-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]azanium dichloride

Systemtic Name: 2-azaniumylethanoyl-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]azanium dichloride Openeye Name: (2-azaniumylacetyl)-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]ammonium dichloride CAS Name: (2-ammonio-1-oxoethyl)-[(3R)-1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidinyl]ammonium dichloride IUPAC Name: (2-azaniumylacetyl)-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]azanium dichloride Traditional Name: (2-ammonioacetyl)-[(3R)-1-(2,4-dimethylbenzyl)pyrrolidin-3-yl]ammonium dichloride Formula: C15H25Cl2N3O MolecularWeight: 334.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2CCC(C2)[NH2+]C(=O)C[NH3+])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)CN2CC[C@H](C2)[NH2+]C(=O)C[NH3+])C.[Cl-].[Cl-]

InChI

InChI=1S/C15H23N3O.2ClH/c1-11-3-4-13(12(2)7-11)9-18-6-5-14(10-18)17-15(19)8-16;;/h3-4,7,14H,5-6,8-10,16H2,1-2H3,(H,17,19);2*1H/t14-;;/m1../s1