[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 4-methylbenzoate

Systemtic Name: [[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 4-methylbenzoate Openeye Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1-benzylpiperidin-1-ium-4-ylidene)amino] ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ON=C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ON=C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2/c1-16-7-9-18(10-8-16)20(23)24-21-19-11-13-22(14-12-19)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/p+1