1-(3-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(m-tolyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea CAS Name: 1-(3-methylphenyl)-3-[4-(1-piperidin-1-iumylmethyl)phenyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(m-tolyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiourea Formula: C20H26N3S+ MolecularWeight: 340.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3S/c1-16-6-5-7-19(14-16)22-20(24)21-18-10-8-17(9-11-18)15-23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H2,21,22,24)/p+1