3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium

Systemtic Name: 3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium Openeye Name: 3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium CAS Name: 3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium IUPAC Name: 3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium Traditional Name: 3-(4-methoxyphenyl)-4,4-dipropyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-4-ium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2CC=CC=C2OCC1C3=CC=C(C=C3)OC)CCC

Isomeric SMILES

CCC[N+]1(C2CC=CC=C2OCC1C3=CC=C(C=C3)OC)CCC

InChI

InChI=1S/C21H30NO2/c1-4-14-22(15-5-2)19-8-6-7-9-21(19)24-16-20(22)17-10-12-18(23-3)13-11-17/h6-7,9-13,19-20H,4-5,8,14-16H2,1-3H3/q+1