[1-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-[(5-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-[(5-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-[(5-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-isoamyl-methyl-ammonium Formula: C19H31ClN3S+ MolecularWeight: 368.98754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

InChI

InChI=1S/C19H30ClN3S/c1-14(2)7-10-22(4)17-8-11-23(12-9-17)19(24)21-18-13-16(20)6-5-15(18)3/h5-6,13-14,17H,7-12H2,1-4H3,(H,21,24)/p+1