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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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