[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 3-methylbenzoate

Systemtic Name: [[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino] 3-methylbenzoate Openeye Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino] ester IUPAC Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1-benzylpiperidin-1-ium-4-ylidene)amino] ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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