1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-16-13-22(27)28-21-14-19(7-8-20(16)21)25-23(29)24-18-9-11-26(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15H2,1H3,(H2,24,25,29)/p+1