N-(3-aminophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: N-(3-aminophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(3-aminophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(3-aminophenyl)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(3-aminophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(3-aminophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyramide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-5-3-9-19(12-13)10-4-8-16(20)18-15-7-2-6-14(17)11-15/h2,6-7,11,13H,3-5,8-10,12,17H2,1H3,(H,18,20)/p+1/t13-/m0/s1