[1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C20H33ClN4OS+2 MolecularWeight: 413.02022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C20H31ClN4OS/c1-16-3-4-17(15-19(16)21)22-20(27)25-7-5-18(6-8-25)23(2)9-10-24-11-13-26-14-12-24/h3-4,15,18H,5-14H2,1-2H3,(H,22,27)/p+2