2-[1-carbamimidoyl-2-(2,3,4-trimethylphenyl)piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[1-carbamimidoyl-2-(2,3,4-trimethylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[1-carbamimidoyl-2-(2,3,4-trimethylphenyl)-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(2,3,4-trimethylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(2,3,4-trimethylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(2,3,4-trimethylphenyl)-4-piperidyl]propionate hydrochloride Formula: C18H27ClN3O2- MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2.ClH/c1-10-5-6-15(12(3)11(10)2)16-9-14(13(4)17(22)23)7-8-21(16)18(19)20;/h5-6,13-14,16H,7-9H2,1-4H3,(H3,19,20)(H,22,23);1H/p-1