2-(1-carbamimidoyl-2-phenylsulfanyl-piperidin-4-yl)propanoate hydrochloride

Systemtic Name: 2-(1-carbamimidoyl-2-phenylsulfanyl-piperidin-4-yl)propanoate hydrochloride Openeye Name: 2-(1-carbamimidoyl-2-phenylsulfanyl-4-piperidyl)propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(phenylthio)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-(1-carbamimidoyl-2-phenylsulfanylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(phenylthio)-4-piperidyl]propionate hydrochloride Formula: C15H21ClN3O2S- MolecularWeight: 342.86414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S.ClH/c1-10(14(19)20)11-7-8-18(15(16)17)13(9-11)21-12-5-3-2-4-6-12;/h2-6,10-11,13H,7-9H2,1H3,(H3,16,17)(H,19,20);1H/p-1