[(2S)-1-(3,4-dimethylphenyl)carbonylpyrrolidin-2-yl]methylazanium

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)carbonylpyrrolidin-2-yl]methylazanium Openeye Name: [(2S)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methylammonium CAS Name: [(2S)-1-[(3,4-dimethylphenyl)-oxomethyl]-2-pyrrolidinyl]methylammonium IUPAC Name: [(2S)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methylazanium Traditional Name: [(2S)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methylammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C[NH3+])C

InChI

InChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)14(17)16-7-3-4-13(16)9-15/h5-6,8,13H,3-4,7,9,15H2,1-2H3/p+1/t13-/m0/s1