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

Systemtic Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(4-cyanophenyl)-4-piperidyl]propionate hydrochloride Formula: C16H20ClN4O2- MolecularWeight: 335.8086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2.ClH/c1-10(15(21)22)13-6-7-20(16(18)19)14(8-13)12-4-2-11(9-17)3-5-12;/h2-5,10,13-14H,6-8H2,1H3,(H3,18,19)(H,21,22);1H/p-1