(3-chloranyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamate Traditional Name: N-o-anisoyl-N-[(1-propylpyridin-1-ium-4-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C39H54ClN2O5+ MolecularWeight: 666.30946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=CC=[N+](C=C2)CCC)C(=O)C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C39H54ClN2O5/c1-4-6-7-8-9-10-11-12-13-14-15-18-28-46-37-22-21-33(29-35(37)40)31-47-39(44)42(30-32-23-26-41(25-5-2)27-24-32)38(43)34-19-16-17-20-36(34)45-3/h16-17,19-24,26-27,29H,4-15,18,25,28,30-31H2,1-3H3/q+1