4-[(2R)-2-azanyl-3-sulfanyl-propyl]-4-butyl-1-(phenylmethyl)piperazin-4-ium-2-one dihydrochloride

Systemtic Name: 4-[(2R)-2-azanyl-3-sulfanyl-propyl]-4-butyl-1-(phenylmethyl)piperazin-4-ium-2-one dihydrochloride Openeye Name: 4-[(2R)-2-amino-3-sulfanyl-propyl]-1-benzyl-4-butyl-piperazin-4-ium-2-one dihydrochloride CAS Name: 4-[(2R)-2-amino-3-mercaptopropyl]-4-butyl-1-(phenylmethyl)-2-piperazin-4-iumone dihydrochloride IUPAC Name: 4-[(2R)-2-amino-3-sulfanylpropyl]-1-benzyl-4-butylpiperazin-4-ium-2-one dihydrochloride Traditional Name: 4-[(2R)-2-amino-3-mercapto-propyl]-1-benzyl-4-butyl-piperazin-4-ium-2-one dihydrochloride Formula: C18H32Cl2N3OS+ MolecularWeight: 409.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(C(=O)C1)CC2=CC=CC=C2)CC(CS)N.Cl.Cl

Isomeric SMILES

CCCC[N+]1(CCN(C(=O)C1)CC2=CC=CC=C2)C[C@H](CS)N.Cl.Cl

InChI

InChI=1S/C18H29N3OS.2ClH/c1-2-3-10-21(13-17(19)15-23)11-9-20(18(22)14-21)12-16-7-5-4-6-8-16;;/h4-8,17H,2-3,9-15,19H2,1H3;2*1H/p+1/t17-,21?;;/m1../s1