1-[(3-methoxy-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one

Systemtic Name: 1-[(3-methoxy-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one Openeye Name: 1-[(3-methoxy-2-tetradecoxy-phenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one CAS Name: 1-[(3-methoxy-2-tetradecoxyphenyl)methylamino]-1-(1-propyl-3-pyridin-1-iumyl)-2-propanone IUPAC Name: 1-[(3-methoxy-2-tetradecoxyphenyl)methylamino]-1-(1-propylpyridin-1-ium-3-yl)propan-2-one Traditional Name: 1-[(3-methoxy-2-myristyloxy-benzyl)amino]-1-(1-propylpyridin-1-ium-3-yl)acetone Formula: C33H53N2O3+ MolecularWeight: 525.78552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CNC(C2=C[N+](=CC=C2)CCC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CNC(C2=C[N+](=CC=C2)CCC)C(=O)C

InChI

InChI=1S/C33H53N2O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-25-38-33-29(20-18-22-31(33)37-4)26-34-32(28(3)36)30-21-19-24-35(27-30)23-6-2/h18-22,24,27,32,34H,5-17,23,25-26H2,1-4H3/q+1