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

Systemtic Name: [4-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Openeye Name: [4-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylammonium CAS Name: [4-[[1-oxo-4-(1-piperidin-1-iumyl)butyl]amino]phenyl]methylammonium IUPAC Name: [4-(4-piperidin-1-ium-1-ylbutanoylamino)phenyl]methylazanium Traditional Name: [4-(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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c17-13-14-6-8-15(9-7-14)18-16(20)5-4-12-19-10-2-1-3-11-19/h6-9H,1-5,10-13,17H2,(H,18,20)/p+2