1-(5-chloranyl-2-methoxy-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3OS/c1-25-19-8-7-16(21)13-18(19)23-20(26)22-17-9-11-24(12-10-17)14-15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,26)/p+1