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

Systemtic Name: [3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C15H23N3O/c1-12-4-3-7-18(10-12)11-15(19)17-14-6-2-5-13(8-14)9-16/h2,5-6,8,12H,3-4,7,9-11,16H2,1H3,(H,17,19)/p+2/t12-/m0/s1