1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-p-phenetyl-thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-2-26-20-9-7-18(8-10-20)23-21(27)24-19-11-13-25(14-12-19)15-16-3-5-17(22)6-4-16/h3-10,19H,2,11-15H2,1H3,(H2,23,24,27)/p+1