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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-17-7-6-8-19(15-17)24-22(27)23-16-21(25-13-4-3-5-14-25)18-9-11-20(26-2)12-10-18/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H2,23,24,27)/p+1/t21-/m1/s1