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

Systemtic Name: 2-[1-carbamimidoyl-2-(4-cyclohexylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(4-cyclohexylphenyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(4-cyclohexylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(4-cyclohexylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(4-cyclohexylphenyl)-4-piperidyl]propionate hydrochloride Formula: C21H31ClN3O2- MolecularWeight: 392.94274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=C(C=C2)C3CCCCC3)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=C(C=C2)C3CCCCC3)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C21H31N3O2.ClH/c1-14(20(25)26)18-11-12-24(21(22)23)19(13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h7-10,14-15,18-19H,2-6,11-13H2,1H3,(H3,22,23)(H,25,26);1H/p-1