1-(3-ethanoylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-acetylphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-(1-benzylpiperidin-1-ium-4-yl)thiourea Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-16(25)18-8-5-9-20(14-18)23-21(26)22-19-10-12-24(13-11-19)15-17-6-3-2-4-7-17/h2-9,14,19H,10-13,15H2,1H3,(H2,22,23,26)/p+1