N-[(4-chloranyl-3-tetradecoxy-phenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide

Systemtic Name: N-[(4-chloranyl-3-tetradecoxy-phenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide Openeye Name: N-[(4-chloro-3-tetradecoxy-phenyl)methyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide CAS Name: N-[(4-chloro-3-tetradecoxyphenyl)methyl]-N-[3-(3-thiazol-3-iumylmethyl)phenyl]propanamide IUPAC Name: N-[(4-chloro-3-tetradecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide Traditional Name: N-(4-chloro-3-myristyloxy-benzyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide Formula: C34H48ClN2O2S+ MolecularWeight: 584.27512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)CC)Cl

InChI

InChI=1S/C34H48ClN2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-39-33-25-30(19-20-32(33)35)27-37(34(38)4-2)31-18-16-17-29(24-31)26-36-21-23-40-28-36/h16-21,23-25,28H,3-15,22,26-27H2,1-2H3/q+1