2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxo-butanamide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3-oxobutanamide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3-oxobutanamide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-3-keto-N-[(1-methylpyridin-1-ium-2-yl)methyl]butyramide Formula: C33H50ClN2O4+ MolecularWeight: 574.2141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC(C(=O)C)C(=O)NCC2=CC=CC=[N+]2C)Cl

InChI

InChI=1S/C33H49ClN2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-39-31-22-21-29(25-30(31)34)40-32(27(2)37)33(38)35-26-28-20-17-18-23-36(28)3/h17-18,20-23,25,32H,4-16,19,24,26H2,1-3H3/p+1