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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-yl-azanium Openeye Name: [1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]-isopropyl-methyl-ammonium CAS Name: [1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-propan-2-ylammonium IUPAC Name: [1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-ylazanium Traditional Name: [1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-isopropyl-methyl-ammonium Formula: C17H27ClN3S+ MolecularWeight: 340.93438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3S/c1-12(2)20(4)15-7-9-21(10-8-15)17(22)19-14-6-5-13(3)16(18)11-14/h5-6,11-12,15H,7-10H2,1-4H3,(H,19,22)/p+1