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

Systemtic Name: 2-azanyl-4-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 2-amino-4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 2-amino-4-chloro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 2-amino-4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 2-amino-4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C16H24ClN3O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)14-7-6-13(17)11-15(14)18/h6-7,11-12H,2-5,8-10,18H2,1H3,(H,19,21)/p+1/t12-/m0/s1