[2-methoxycarbonyloxy-3-(octadecoxycarbonylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: [2-methoxycarbonyloxy-3-(octadecoxycarbonylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate Openeye Name: [2-methoxycarbonyloxy-3-(octadecoxycarbonylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-methoxycarbonyloxy-3-[[octadecoxy(oxo)methyl]amino]propyl] ester IUPAC Name: [2-methoxycarbonyloxy-3-(octadecoxycarbonylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid [2-carbomethoxyoxy-3-(stearyloxycarbonylamino)propyl] ester Formula: C33H57N2O7+ MolecularWeight: 593.81488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)NCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)NCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)OC

InChI

InChI=1S/C33H56N2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-40-32(37)34-28-30(42-33(38)39-2)29-41-31(36)23-22-26-35-24-19-18-20-25-35/h18-20,24-25,30H,3-17,21-23,26-29H2,1-2H3/p+1