[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3S)-3-phenylbutyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3S)-3-phenylbutyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3S)-3-phenylbutyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[(3S)-3-phenylbutyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3S)-3-phenylbutyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3S)-3-phenylbutyl]-(4-pyridylmethyl)ammonium Formula: C25H39N3O+2 MolecularWeight: 397.59666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+](CC1CC[NH+](CC1)CCOC)CC2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC[NH+](CC1CC[NH+](CC1)CCOC)CC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H37N3O/c1-22(25-6-4-3-5-7-25)10-15-28(20-23-8-13-26-14-9-23)21-24-11-16-27(17-12-24)18-19-29-2/h3-9,13-14,22,24H,10-12,15-21H2,1-2H3/p+2/t22-/m0/s1