[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-3-22-11-9-20-18(22)14-21-10-5-7-16(13-21)19(23)15-6-4-8-17(12-15)24-2/h4,6,8-9,11-12,16H,3,5,7,10,13-14H2,1-2H3/p+1/t16-/m0/s1