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

Systemtic Name: 2-[1-carbamimidoyl-2-(4-methanoylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(4-formylphenyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(4-formylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(4-formylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(4-formylphenyl)-4-piperidyl]propionate hydrochloride Formula: C16H21ClN3O3- MolecularWeight: 338.80924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3.ClH/c1-10(15(21)22)13-6-7-19(16(17)18)14(8-13)12-4-2-11(9-20)3-5-12;/h2-5,9-10,13-14H,6-8H2,1H3,(H3,17,18)(H,21,22);1H/p-1