[4-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12-7-9-19(10-8-12)13(2)16(20)18-15-5-3-14(11-17)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)/p+2/t13-/m1/s1