1-(3-chloranyl-4-methyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C20H25ClN3S+ MolecularWeight: 374.9506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3S/c1-15-7-8-18(13-19(15)21)23-20(25)22-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,25)/p+1