ethyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo-(phenethylamino)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-2-25(17-20-10-13-23-14-11-20)21-9-6-16-26(18-21)22(27)24-15-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,21H,2,6,9,12,15-18H2,1H3,(H,24,27)/p+1/t21-/m0/s1