N-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-3-pyridin-4-yl-propyl]ethanenitrilium

Systemtic Name: N-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-3-pyridin-4-yl-propyl]ethanenitrilium Openeye Name: N-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(4-pyridyl)propyl]acetonitrilium CAS Name: N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylpropyl]acetonitrilium IUPAC Name: N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylpropyl]acetonitrilium Traditional Name: N-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(4-pyridyl)propyl]acetonitrilium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC#[N+]CC(CC1=CC=NC=C1)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC#[N+]CC(CC1=CC=NC=C1)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H27N2O2/c1-3-23-16-19(14-17-10-12-24-13-11-17)18-8-9-21(25-2)22(15-18)26-20-6-4-5-7-20/h8-13,15,19-20H,4-7,14,16H2,1-2H3/q+1