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

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(4-amino-2-methylphenyl)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(4-amino-2-methylphenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyramide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-13-5-3-9-20(12-13)10-4-6-17(21)19-16-8-7-15(18)11-14(16)2/h7-8,11,13H,3-6,9-10,12,18H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1