[4-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

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