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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O2/c1-3-4-11-26-28-17-22(29-26)19-31-16-7-8-21(18-31)27(32)30-25-10-6-5-9-24(25)20-12-14-23(33-2)15-13-20/h5-6,9-10,12-15,17,21H,3-4,7-8,11,16,18-19H2,1-2H3,(H,28,29)(H,30,32)/p+1/t21-/m0/s1