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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=C(C=C(C=C2)N)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(C=C(C=C2)N)C

InChI

InChI=1S/C16H25N3O/c1-12-4-3-8-19(11-12)9-7-16(20)18-15-6-5-14(17)10-13(15)2/h5-6,10,12H,3-4,7-9,11,17H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1