N-(2-methoxyphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[[(2R)-2-oxolanyl]methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCC[NH+](CC2)CC3CCCO3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCC[NH+](CC2)C[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O3/c1-23-17-8-3-2-7-16(17)19-18(22)21-10-5-9-20(11-12-21)14-15-6-4-13-24-15/h2-3,7-8,15H,4-6,9-14H2,1H3,(H,19,22)/p+1/t15-/m1/s1