[(3S)-1-[(4-chloranyl-2-methyl-phenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(4-chloranyl-2-methyl-phenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(4-chloro-2-methyl-phenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(4-chloro-2-methylanilino)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(4-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(4-chloro-2-methyl-phenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H27ClN4O/c1-16-14-17(22)8-9-20(16)24-21(27)26-12-5-7-19(15-26)25(2)13-10-18-6-3-4-11-23-18/h3-4,6,8-9,11,14,19H,5,7,10,12-13,15H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1