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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-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=CC=C4OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H31N3OS/c1-18-9-10-20(27-18)17-23-11-5-6-19(16-23)24-12-14-25(15-13-24)21-7-3-4-8-22(21)26-2/h3-4,7-10,19H,5-6,11-17H2,1-2H3/p+1/t19-/m0/s1