1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

InChI

InChI=1S/C23H31N3OS/c1-17-8-7-9-21(18(17)2)25-23(28)24-16-22(26-14-5-4-6-15-26)19-10-12-20(27-3)13-11-19/h7-13,22H,4-6,14-16H2,1-3H3,(H2,24,25,28)/p+1/t22-/m1/s1