[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Openeye Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone CAS Name: [(3S)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(6-methoxy-2-naphthalenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Traditional Name: [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC[NH+](C3)CC4=NC=CN4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)[C@H]3CCC[NH+](C3)CC4=NC=CN4

InChI

InChI=1S/C21H23N3O2/c1-26-19-7-6-15-11-17(5-4-16(15)12-19)21(25)18-3-2-10-24(13-18)14-20-22-8-9-23-20/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,22,23)/p+1/t18-/m0/s1