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

Systemtic Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-3-26-21-12-5-4-11-20(21)24-22(26)16-25-13-7-9-18(15-25)23(27)17-8-6-10-19(14-17)28-2/h4-6,8,10-12,14,18H,3,7,9,13,15-16H2,1-2H3/p+1/t18-/m0/s1