N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

Isomeric SMILES

CCC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

InChI

InChI=1S/C17H27N3O/c1-4-17(21)18-13-16(20-11-5-6-12-20)14-7-9-15(10-8-14)19(2)3/h7-10,16H,4-6,11-13H2,1-3H3,(H,18,21)/p+1/t16-/m1/s1