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

Systemtic Name: [2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Openeye Name: [2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylammonium CAS Name: [2-[[4-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [2-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanoylamino]phenyl]methylazanium Traditional Name: [2-[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=C2C[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

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