2-(1-adamantyl)-4-butyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-piperazin-1-yl-imidazolidin-1-ium 1-oxide

Systemtic Name: 2-(1-adamantyl)-4-butyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-piperazin-1-yl-imidazolidin-1-ium 1-oxide Openeye Name: 2-(1-adamantyl)-4-butyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-4-piperazin-1-yl-imidazolidin-1-ium 1-oxide CAS Name: 2-(1-adamantyl)-4-butyl-3-(2,2-dimethyl-3H-benzofuran-7-yl)-4-(1-piperazinyl)imidazolidin-1-ium 1-oxide IUPAC Name: 2-(1-adamantyl)-4-butyl-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-piperazin-1-ylimidazolidin-1-ium 1-oxide Traditional Name: 2-(1-adamantyl)-4-butyl-3-(2,2-dimethylcoumaran-7-yl)-4-piperazino-imidazolidin-1-ium 1-oxide Formula: C31H47N4O2+ MolecularWeight: 507.73048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C[N+](=O)C(N1C2=CC=CC3=C2OC(C3)(C)C)C45CC6CC(C4)CC(C6)C5)N7CCNCC7

Isomeric SMILES

CCCCC1(C[N+](=O)C(N1C2=CC=CC3=C2OC(C3)(C)C)C45CC6CC(C4)CC(C6)C5)N7CCNCC7

InChI

InChI=1S/C31H47N4O2/c1-4-5-9-31(33-12-10-32-11-13-33)21-34(36)28(30-17-22-14-23(18-30)16-24(15-22)19-30)35(31)26-8-6-7-25-20-29(2,3)37-27(25)26/h6-8,22-24,28,32H,4-5,9-21H2,1-3H3/q+1