[3-(aminomethyl)-1-methyl-pyridin-1-ium-2-yl]-[3,4-di(tetradecoxy)phenyl]methanone

Systemtic Name: [3-(aminomethyl)-1-methyl-pyridin-1-ium-2-yl]-[3,4-di(tetradecoxy)phenyl]methanone Openeye Name: [3-(aminomethyl)-1-methyl-pyridin-1-ium-2-yl]-[3,4-di(tetradecoxy)phenyl]methanone CAS Name: [3-(aminomethyl)-1-methyl-2-pyridin-1-iumyl]-[3,4-di(tetradecoxy)phenyl]methanone IUPAC Name: [3-(aminomethyl)-1-methylpyridin-1-ium-2-yl]-[3,4-di(tetradecoxy)phenyl]methanone Traditional Name: [3-(aminomethyl)-1-methyl-pyridin-1-ium-2-yl]-(3,4-dimyristyloxyphenyl)methanone Formula: C42H71N2O3+ MolecularWeight: 652.02474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C=CC=[N+]2C)CN)OCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C=CC=[N+]2C)CN)OCCCCCCCCCCCCCC

InChI

InChI=1S/C42H71N2O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-33-46-39-31-30-37(42(45)41-38(36-43)29-28-32-44(41)3)35-40(39)47-34-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-32,35H,4-27,33-34,36,43H2,1-3H3/q+1