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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methylthiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methylthiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiourea Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC(C1=CC=C(C=C1)OC)[NH+]2CCCCC2

Isomeric SMILES

CNC(=S)NC[C@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3OS/c1-17-16(21)18-12-15(19-10-4-3-5-11-19)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H2,17,18,21)/p+1/t15-/m1/s1