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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC(=O)NC2=C(C=C(C=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-13-12-15(18)8-9-16(13)19-17(21)7-5-11-20-10-4-3-6-14(20)2/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1