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

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(o-tolyl)thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3OS/c1-17-8-4-5-9-20(17)24-22(27)23-16-21(25-14-6-3-7-15-25)18-10-12-19(26-2)13-11-18/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H2,23,24,27)/p+1/t21-/m1/s1