(6-methoxynaphthalen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (6-methoxy-2-naphthyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (6-methoxy-2-naphthalenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (6-methoxynaphthalen-2-yl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (6-methoxy-2-naphthyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC[NH+](C3)CCCN4C=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)[C@H]3CCC[NH+](C3)CCCN4C=CC=N4

InChI

InChI=1S/C23H27N3O2/c1-28-22-9-8-18-15-20(7-6-19(18)16-22)23(27)21-5-2-11-25(17-21)12-4-14-26-13-3-10-24-26/h3,6-10,13,15-16,21H,2,4-5,11-12,14,17H2,1H3/p+1/t21-/m0/s1