2-[2-(4-tert-butylphenyl)sulfanyl-1-carbamimidoyl-piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfanyl-1-carbamimidoyl-piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[2-(4-tert-butylphenyl)sulfanyl-1-carbamimidoyl-4-piperidyl]propanoate hydrochloride CAS Name: 2-[2-[(4-tert-butylphenyl)thio]-1-carbamimidoyl-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfanyl-1-carbamimidoylpiperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-[(4-tert-butylphenyl)thio]-4-piperidyl]propionate hydrochloride Formula: C19H29ClN3O2S- MolecularWeight: 398.97046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)SC2=CC=C(C=C2)C(C)(C)C)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)SC2=CC=C(C=C2)C(C)(C)C)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C19H29N3O2S.ClH/c1-12(17(23)24)13-9-10-22(18(20)21)16(11-13)25-15-7-5-14(6-8-15)19(2,3)4;/h5-8,12-13,16H,9-11H2,1-4H3,(H3,20,21)(H,23,24);1H/p-1