2-[1-carbamimidoyl-2-(2-carboxyphenyl)piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[1-carbamimidoyl-2-(2-carboxyphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(2-carboxyphenyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(2-carboxyphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(2-carboxyphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(2-carboxyphenyl)-4-piperidyl]propionate hydrochloride Formula: C16H21ClN3O4- MolecularWeight: 354.80864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)O)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)O)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C16H21N3O4.ClH/c1-9(14(20)21)10-6-7-19(16(17)18)13(8-10)11-4-2-3-5-12(11)15(22)23;/h2-5,9-10,13H,6-8H2,1H3,(H3,17,18)(H,20,21)(H,22,23);1H/p-1