N-[(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-2-propyl-aniline

Systemtic Name: N-[(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-2-propyl-aniline Openeye Name: N-[(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-2-propyl-aniline CAS Name: N-[(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-2-propylaniline IUPAC Name: N-[(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-2-propylaniline Traditional Name: [(E)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-ylidenemethyl]-(2-propylphenyl)amine Formula: C21H23N2O+ MolecularWeight: 319.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1NC=C2CCC[N+]3=C2OC4=CC=CC=C43

Isomeric SMILES

CCCC1=CC=CC=C1N/C=C/2\CCC[N+]3=C2OC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O/c1-2-8-16-9-3-4-11-18(16)22-15-17-10-7-14-23-19-12-5-6-13-20(19)24-21(17)23/h3-6,9,11-13,15H,2,7-8,10,14H2,1H3/p+1