N-(3-methylphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[[(2R)-2-oxolanyl]methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC[NH+](CC2)CC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC[NH+](CC2)C[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O2/c1-15-5-2-6-16(13-15)19-18(22)21-9-4-8-20(10-11-21)14-17-7-3-12-23-17/h2,5-6,13,17H,3-4,7-12,14H2,1H3,(H,19,22)/p+1/t17-/m1/s1