(1-carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (1-carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate Openeye Name: (1-carbamimidoyl-3-piperidyl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (1-carbamimidoyl-3-piperidinyl) ester IUPAC Name: (1-carbamimidoylpiperidin-3-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (1-amidino-3-piperidyl) ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCCN(C2)C(=N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCCN(C2)C(=N)N

InChI

InChI=1S/C16H23N3O5/c1-21-12-7-10(8-13(22-2)14(12)23-3)15(20)24-11-5-4-6-19(9-11)16(17)18/h7-8,11H,4-6,9H2,1-3H3,(H3,17,18)