ethyl-[(3S)-1-[4-(furan-2-yl)phenyl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[4-(furan-2-yl)phenyl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[4-(2-furyl)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[[4-(2-furanyl)phenyl]-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[4-(furan-2-yl)benzoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[4-(2-furyl)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C24H28N3O2+ MolecularWeight: 390.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C24H27N3O2/c1-2-26(17-19-11-13-25-14-12-19)22-5-3-15-27(18-22)24(28)21-9-7-20(8-10-21)23-6-4-16-29-23/h4,6-14,16,22H,2-3,5,15,17-18H2,1H3/p+1/t22-/m0/s1