1-(3-chloranyl-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C22H29ClN3OS+ MolecularWeight: 419.00316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C22H28ClN3OS/c1-16-19(23)7-6-8-20(16)25-22(28)24-15-21(26-13-4-3-5-14-26)17-9-11-18(27-2)12-10-17/h6-12,21H,3-5,13-15H2,1-2H3,(H2,24,25,28)/p+1/t21-/m1/s1