[(1-piperidin-4-ylpiperidin-1-ium-1-yl)carbonylamino] benzoate

Systemtic Name: [(1-piperidin-4-ylpiperidin-1-ium-1-yl)carbonylamino] benzoate Openeye Name: [[1-(4-piperidyl)piperidin-1-ium-1-carbonyl]amino] benzoate CAS Name: benzoic acid [[oxo-[1-(4-piperidinyl)-1-piperidin-1-iumyl]methyl]amino] ester IUPAC Name: [(1-piperidin-4-ylpiperidin-1-ium-1-carbonyl)amino] benzoate Traditional Name: benzoic acid [[1-(4-piperidyl)piperidin-1-ium-1-carbonyl]amino] ester Formula: C18H26N3O3+ MolecularWeight: 332.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2CCNCC2)C(=O)NOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[N+](CC1)(C2CCNCC2)C(=O)NOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3/c22-17(15-7-3-1-4-8-15)24-20-18(23)21(13-5-2-6-14-21)16-9-11-19-12-10-16/h1,3-4,7-8,16,19H,2,5-6,9-14H2/p+1