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

Systemtic Name: [2-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Openeye Name: [2-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylammonium CAS Name: [2-[[4-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [2-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Traditional Name: [2-[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=C2C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-7-4-5-11-20(14)12-6-10-17(21)19-16-9-3-2-8-15(16)13-18/h2-3,8-9,14H,4-7,10-13,18H2,1H3,(H,19,21)/p+2/t14-/m0/s1