2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole

Systemtic Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole Openeye Name: 4-isopropyl-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]thiazole CAS Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-4-propan-2-ylthiazole IUPAC Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole Traditional Name: 4-isopropyl-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]thiazole Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)C1=CSC(=N1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H34N4OS/c1-18(2)20-17-29-23(24-20)16-25-10-6-7-19(15-25)26-11-13-27(14-12-26)21-8-4-5-9-22(21)28-3/h4-5,8-9,17-19H,6-7,10-16H2,1-3H3/p+1/t19-/m0/s1