2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C4CCCCC4=C3)CC=C

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C4CCCCC4=C3)CC=C

InChI

InChI=1S/C19H26N3O/c1-3-10-22(2)11-8-21(9-12-22)19-20-17-13-15-6-4-5-7-16(15)14-18(17)23-19/h3,13-14H,1,4-12H2,2H3/q+1