1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H28N2O2/c23-20-11-12-21(17-18-7-3-1-4-8-18)13-14-22(20)15-16-24-19-9-5-2-6-10-19/h1-3,5-6,9-10,18H,4,7-8,11-17H2/p+1/t18-/m1/s1