N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine

Systemtic Name: N-[(3-chloranyl-2-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine Openeye Name: N-[(3-chloro-2-tetradecoxy-phenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine CAS Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-1-methylsulfonyl-1-(1-propyl-2-pyridin-1-iumyl)methanamine IUPAC Name: N-[(3-chloro-2-tetradecoxyphenyl)methyl]-1-methylsulfonyl-1-(1-propylpyridin-1-ium-2-yl)methanamine Traditional Name: (3-chloro-2-myristyloxy-benzyl)-[mesyl-(1-propylpyridin-1-ium-2-yl)methyl]amine Formula: C31H50ClN2O3S+ MolecularWeight: 566.2583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CNC(C2=CC=CC=[N+]2CCC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)CNC(C2=CC=CC=[N+]2CCC)S(=O)(=O)C

InChI

InChI=1S/C31H50ClN2O3S/c1-4-6-7-8-9-10-11-12-13-14-15-18-25-37-30-27(20-19-21-28(30)32)26-33-31(38(3,35)36)29-22-16-17-24-34(29)23-5-2/h16-17,19-22,24,31,33H,4-15,18,23,25-26H2,1-3H3/q+1