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

Systemtic Name: 2-[1-carbamimidoyl-2-(2-prop-2-enylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[2-(2-allylphenyl)-1-carbamimidoyl-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(2-prop-2-enylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(2-prop-2-enylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[2-(2-allylphenyl)-1-amidino-4-piperidyl]propionate hydrochloride Formula: C18H25ClN3O2- MolecularWeight: 350.863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=CC=C2CC=C)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=CC=C2CC=C)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C18H25N3O2.ClH/c1-3-6-13-7-4-5-8-15(13)16-11-14(12(2)17(22)23)9-10-21(16)18(19)20;/h3-5,7-8,12,14,16H,1,6,9-11H2,2H3,(H3,19,20)(H,22,23);1H/p-1