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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3,4-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=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

Isomeric SMILES

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

InChI

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