1-(4-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)C4CCSCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCSCC4

InChI

InChI=1S/C21H33N3OS/c1-25-21-6-4-18(5-7-21)22-11-13-23(14-12-22)20-3-2-10-24(17-20)19-8-15-26-16-9-19/h4-7,19-20H,2-3,8-17H2,1H3/p+1/t20-/m0/s1