N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O/c1-19(21-9-11-23(12-10-21)28-16-13-25-18-28)26-24(29)22-7-5-20(6-8-22)17-27-14-3-2-4-15-27/h5-13,16,18-19H,2-4,14-15,17H2,1H3,(H,26,29)/p+1/t19-/m0/s1