[3-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylammonium CAS Name: [3-[[4-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Traditional Name: [3-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-6-2-3-10-20(14)11-5-9-17(21)19-16-8-4-7-15(12-16)13-18/h4,7-8,12,14H,2-3,5-6,9-11,13,18H2,1H3,(H,19,21)/p+2/t14-/m0/s1