1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H34N4O2/c1-3-4-11-26-28-18-24(29-26)19-31-14-12-20(13-15-31)27(32)30-23-9-5-7-21(16-23)22-8-6-10-25(17-22)33-2/h5-10,16-18,20H,3-4,11-15,19H2,1-2H3,(H,28,29)(H,30,32)/p+1