(2S)-2-(6-methoxynaphthalen-2-yl)-2-(4-nitrososulfanylpiperidin-4-yl)pentanoic acid hydrochloride

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(4-nitrososulfanylpiperidin-4-yl)pentanoic acid hydrochloride Openeye Name: (2S)-2-(6-methoxy-2-naphthyl)-2-(4-nitrososulfanyl-4-piperidyl)pentanoic acid hydrochloride CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)-2-[4-(nitrosothio)-4-piperidinyl]pentanoic acid hydrochloride IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(4-nitrososulfanylpiperidin-4-yl)pentanoic acid hydrochloride Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)-2-[4-(nitrosothio)-4-piperidyl]valeric acid hydrochloride Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(CCNCC3)SN=O.Cl

Isomeric SMILES

CCC[C@](C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(CCNCC3)SN=O.Cl

InChI

InChI=1S/C21H26N2O4S.ClH/c1-3-8-21(19(24)25,20(28-23-26)9-11-22-12-10-20)17-6-4-16-14-18(27-2)7-5-15(16)13-17;/h4-7,13-14,22H,3,8-12H2,1-2H3,(H,24,25);1H/t21-;/m0./s1