[(2S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrrolidin-2-yl]methylazanium

Systemtic Name: [(2S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrrolidin-2-yl]methylazanium Openeye Name: [(2S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrrolidin-2-yl]methylammonium CAS Name: [(2S)-1-[3-(3,4-dimethoxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]methylammonium IUPAC Name: [(2S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrrolidin-2-yl]methylazanium Traditional Name: [(2S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]pyrrolidin-2-yl]methylammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCCC2C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC[C@H]2C[NH3+])OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-7-5-12(10-15(14)21-2)6-8-16(19)18-9-3-4-13(18)11-17/h5,7,10,13H,3-4,6,8-9,11,17H2,1-2H3/p+1/t13-/m0/s1