3-azanyl-4-chloranyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide

Systemtic Name: 3-azanyl-4-chloranyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Openeye Name: 3-amino-4-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide CAS Name: 3-amino-4-chloro-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: 3-amino-4-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Traditional Name: 3-amino-4-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C14H20ClN3O/c1-2-18-7-3-4-11(18)9-17-14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19)/p+1/t11-/m0/s1