N-(4-azanyl-2-methyl-phenyl)-4-piperidin-1-ium-1-yl-butanamide

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-4-piperidin-1-ium-1-yl-butanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-4-piperidin-1-ium-1-yl-butanamide CAS Name: N-(4-amino-2-methylphenyl)-4-(1-piperidin-1-iumyl)butanamide IUPAC Name: N-(4-amino-2-methylphenyl)-4-piperidin-1-ium-1-ylbutanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyramide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)CCC[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3O/c1-13-12-14(17)7-8-15(13)18-16(20)6-5-11-19-9-3-2-4-10-19/h7-8,12H,2-6,9-11,17H2,1H3,(H,18,20)/p+1