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

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H33ClN4OS+2 MolecularWeight: 413.02022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NCCC[NH+]2CCOCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NCCC[NH+]2CCOCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H31ClN4OS/c21-18-4-2-17(3-5-18)16-25-10-6-19(7-11-25)23-20(27)22-8-1-9-24-12-14-26-15-13-24/h2-5,19H,1,6-16H2,(H2,22,23,27)/p+2