N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3R)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-naphthamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H28N4O/c1-2-27-14-12-24-22(27)17-26-13-6-7-18(16-26)15-25-23(28)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-12,14,18H,2,6-7,13,15-17H2,1H3,(H,25,28)/p+1/t18-/m1/s1