5-(heptadecylcarbamoyloxy)pentyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Systemtic Name: 5-(heptadecylcarbamoyloxy)pentyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Openeye Name: 5-(heptadecylcarbamoyloxy)pentyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 5-[(heptadecylamino)-oxomethoxy]pentyl ester IUPAC Name: 5-(heptadecylcarbamoyloxy)pentyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 5-(heptadecylcarbamoyloxy)pentyl ester Formula: C34H60N3O5+ MolecularWeight: 590.8573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCCCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCCCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C

InChI

InChI=1S/C34H59N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-33(39)41-28-23-19-24-29-42-34(40)37(31(3)38)30-32-25-20-22-27-36(32)5-2/h20,22,25,27H,4-19,21,23-24,26,28-30H2,1-3H3/p+1