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

Systemtic Name: 1-(3-ethylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-ethylphenyl)thiourea CAS Name: 1-(3-ethylphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-ethylphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-ethylphenyl)thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c1-2-17-9-6-10-20(15-17)23-21(25)22-19-11-13-24(14-12-19)16-18-7-4-3-5-8-18/h3-10,15,19H,2,11-14,16H2,1H3,(H2,22,23,25)/p+1