N-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]dodecanamide

Systemtic Name: N-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]dodecanamide Openeye Name: N-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]dodecanamide CAS Name: N-[4-(2-isoquinolin-2-iumylmethyl)phenyl]dodecanamide IUPAC Name: N-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]dodecanamide Traditional Name: N-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]lauramide Formula: C28H37N2O+ MolecularWeight: 417.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-15-28(31)29-27-18-16-24(17-19-27)22-30-21-20-25-13-11-12-14-26(25)23-30/h11-14,16-21,23H,2-10,15,22H2,1H3/p+1