(6S)-6-[(3-methoxyphenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)-1-phenethyl-1,4-diazepan-2-one Openeye Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)-1-phenethyl-1,4-diazepan-2-one CAS Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-(1-methyl-4-piperidin-1-iumyl)-1-phenethyl-1,4-diazepan-2-one IUPAC Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-(1-methylpiperidin-1-ium-4-yl)-1-phenethyl-1,4-diazepan-2-one Traditional Name: (6S)-6-m-anisyloxy-4-(1-methylpiperidin-1-ium-4-yl)-1-phenethyl-1,4-diazepan-2-one Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

C[NH+]1CCC(CC1)N2C[C@@H](CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H37N3O3/c1-28-14-12-24(13-15-28)30-19-26(33-21-23-9-6-10-25(17-23)32-2)18-29(27(31)20-30)16-11-22-7-4-3-5-8-22/h3-10,17,24,26H,11-16,18-21H2,1-2H3/p+1/t26-/m1/s1