1-(3,4-dimethylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H29N3S/c1-17-10-11-21(14-18(17)2)24-22(26)23-15-19-8-4-5-9-20(19)16-25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H2,23,24,26)/p+1