(1-hexadecoxy-1-oxidanylidene-hexan-2-yl)azanium; N-(1-hexadecoxy-1-oxidanylidene-hexan-2-yl)carbamate

Systemtic Name: (1-hexadecoxy-1-oxidanylidene-hexan-2-yl)azanium; N-(1-hexadecoxy-1-oxidanylidene-hexan-2-yl)carbamate Openeye Name: 1-hexadecoxycarbonylpentylammonium; N-(1-hexadecoxycarbonylpentyl)carbamate CAS Name: (1-hexadecoxy-1-oxohexan-2-yl)ammonium; N-(1-hexadecoxy-1-oxohexan-2-yl)carbamate IUPAC Name: (1-hexadecoxy-1-oxohexan-2-yl)azanium; N-(1-hexadecoxy-1-oxohexan-2-yl)carbamate Traditional Name: 1-cetyloxycarbonylpentylammonium; N-(1-cetyloxycarbonylpentyl)carbamate Formula: C45H90N2O6 MolecularWeight: 755.2059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCCC)[NH3+].CCCCCCCCCCCCCCCCOC(=O)C(CCCC)NC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCCC)[NH3+].CCCCCCCCCCCCCCCCOC(=O)C(CCCC)NC(=O)[O-]

InChI

InChI=1S/C23H45NO4.C22H45NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-28-22(25)21(19-6-4-2)24-23(26)27;1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-22(24)21(23)19-6-4-2/h21,24H,3-20H2,1-2H3,(H,26,27);21H,3-20,23H2,1-2H3