[2-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

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