1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H31N3OS/c1-18-5-10-22(27-18)17-23-11-3-4-20(16-23)25-14-12-24(13-15-25)19-6-8-21(26-2)9-7-19/h5-10,20H,3-4,11-17H2,1-2H3/p+1/t20-/m0/s1