methyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-(phenethylamino)methyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-25(17-13-20-10-5-6-14-23-20)21-11-7-16-26(18-21)22(27)24-15-12-19-8-3-2-4-9-19/h2-6,8-10,14,21H,7,11-13,15-18H2,1H3,(H,24,27)/p+1/t21-/m0/s1