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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-5-2-3-11-20(14)12-4-6-17(21)19-16-9-7-15(13-18)8-10-16/h7-10,14H,2-6,11-13,18H2,1H3,(H,19,21)/p+2/t14-/m0/s1