[(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(2-methoxy-5-methylanilino)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-17-9-10-21(28-3)20(15-17)24-22(27)26-13-6-8-19(16-26)25(2)14-11-18-7-4-5-12-23-18/h4-5,7,9-10,12,15,19H,6,8,11,13-14,16H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1