1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2-methylallyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(2-methylallyl)thiourea Formula: C17H25ClN3S+ MolecularWeight: 338.9185

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=C)CNC(=S)NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H24ClN3S/c1-13(2)11-19-17(22)20-16-7-9-21(10-8-16)12-14-3-5-15(18)6-4-14/h3-6,16H,1,7-12H2,2H3,(H2,19,20,22)/p+1