2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-naphthalen-1-yl-1-(3-oxidanylpropyl)pyrrol-1-ium-1-carboxamide

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-naphthalen-1-yl-1-(3-oxidanylpropyl)pyrrol-1-ium-1-carboxamide Openeye Name: 1-(3-hydroxypropyl)-2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-(1-naphthyl)pyrrol-1-ium-1-carboxamide CAS Name: 1-(3-hydroxypropyl)-2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-(1-naphthalenyl)-1-pyrrol-1-iumcarboxamide IUPAC Name: 1-(3-hydroxypropyl)-2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-naphthalen-1-ylpyrrol-1-ium-1-carboxamide Traditional Name: 1-(3-hydroxypropyl)-2-(1H-imidazol-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-(1-naphthyl)pyrrol-1-ium-1-carboxamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]1(C=C(C(=C1CC2=CN=CN2)CCOC)C3=CC=CC4=CC=CC=C43)CCCO

Isomeric SMILES

CNC(=O)[N+]1(C=C(C(=C1CC2=CN=CN2)CCOC)C3=CC=CC4=CC=CC=C43)CCCO

InChI

InChI=1S/C26H30N4O3/c1-27-26(32)30(12-6-13-31)17-24(22-10-5-8-19-7-3-4-9-21(19)22)23(11-14-33-2)25(30)15-20-16-28-18-29-20/h3-5,7-10,16-18,31H,6,11-15H2,1-2H3,(H-,27,28,29,32)/p+1