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

Systemtic Name: N-(3-azanyl-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(3-amino-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(3-amino-2-methylphenyl)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(3-amino-2-methylphenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(3-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=CC=CC(=C2C)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCC(=O)NC2=CC=CC(=C2C)N

InChI

InChI=1S/C17H27N3O/c1-13-6-4-10-20(12-13)11-5-9-17(21)19-16-8-3-7-15(18)14(16)2/h3,7-8,13H,4-6,9-12,18H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1