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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate Traditional Name: N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-o-anisoyl-carbamic acid (3-chloro-4-myristyloxy-benzyl) ester Formula: C37H50ClN2O5+ MolecularWeight: 638.2563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H50ClN2O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-44-35-23-22-30(26-33(35)38)29-45-37(42)40(28-31-19-18-24-39(2)27-31)36(41)32-20-15-16-21-34(32)43-3/h15-16,18-24,26-27H,4-14,17,25,28-29H2,1-3H3/q+1