ethyl-[(3S)-1-[3-(5-methylfuran-2-yl)phenyl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[3-(5-methylfuran-2-yl)phenyl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[3-(5-methyl-2-furyl)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[[3-(5-methyl-2-furanyl)phenyl]-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[3-(5-methylfuran-2-yl)benzoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[3-(5-methyl-2-furyl)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C4=CC=C(O4)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=CC(=C3)C4=CC=C(O4)C

InChI

InChI=1S/C25H29N3O2/c1-3-27(17-20-11-13-26-14-12-20)23-8-5-15-28(18-23)25(29)22-7-4-6-21(16-22)24-10-9-19(2)30-24/h4,6-7,9-14,16,23H,3,5,8,15,17-18H2,1-2H3/p+1/t23-/m0/s1