1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(S)-(2-methoxy-1-naphthyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(S)-(2-methoxy-1-naphthalenyl)sulfinyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[(S)-(2-methoxy-1-naphthyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)S(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)[S@](=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N3O2S/c1-25-18-10-9-16-6-2-3-7-17(16)20(18)26(24)23-14-12-22(13-15-23)19-8-4-5-11-21-19/h2-11H,12-15H2,1H3/p+1/t26-/m0/s1