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

Systemtic Name: 2-[1-carbamimidoyl-2-(4-methylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(p-tolyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(4-methylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(4-methylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(p-tolyl)-4-piperidyl]propionate hydrochloride Formula: C16H23ClN3O2- MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(CCN2C(=N)N)C(C)C(=O)[O-].Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(CCN2C(=N)N)C(C)C(=O)[O-].Cl

InChI

InChI=1S/C16H23N3O2.ClH/c1-10-3-5-12(6-4-10)14-9-13(11(2)15(20)21)7-8-19(14)16(17)18;/h3-6,11,13-14H,7-9H2,1-2H3,(H3,17,18)(H,20,21);1H/p-1