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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)CCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

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