N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3S)-1-[(1-ethylpyrazol-4-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=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H28N4O/c1-2-27-17-19(14-25-27)16-26-12-6-7-18(15-26)13-24-23(28)22-11-5-9-20-8-3-4-10-21(20)22/h3-5,8-11,14,17-18H,2,6-7,12-13,15-16H2,1H3,(H,24,28)/p+1/t18-/m0/s1