[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone

Systemtic Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Openeye Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone CAS Name: [(2R)-2-(4-methoxyphenyl)-1-azepanyl]-[4-(4-morpholinyl)-2-pyridin-1-iumyl]methanone IUPAC Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Traditional Name: [(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C23H29N3O3/c1-28-20-8-6-18(7-9-20)22-5-3-2-4-12-26(22)23(27)21-17-19(10-11-24-21)25-13-15-29-16-14-25/h6-11,17,22H,2-5,12-16H2,1H3/p+1/t22-/m1/s1