[3-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium

Systemtic Name: [3-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Openeye Name: [3-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylammonium CAS Name: [3-[[1-oxo-4-(1-piperidin-1-iumyl)butyl]amino]phenyl]methylammonium IUPAC Name: [3-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Traditional Name: [3-(4-piperidin-1-ium-1-ylbutanoylamino)benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C1CC[NH+](CC1)CCCC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C16H25N3O/c17-13-14-6-4-7-15(12-14)18-16(20)8-5-11-19-9-2-1-3-10-19/h4,6-7,12H,1-3,5,8-11,13,17H2,(H,18,20)/p+2