N-(3-azanyl-4-ethyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C)N

InChI

InChI=1S/C16H25N3O/c1-3-13-6-7-14(9-15(13)17)18-16(20)11-19-8-4-5-12(2)10-19/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1