cyclohexyl-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]azanium

Systemtic Name: cyclohexyl-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]azanium Openeye Name: cyclohexyl-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]ammonium CAS Name: cyclohexyl-[(4S)-7-oxo-1-(2-phenoxyethyl)-4-azepanyl]ammonium IUPAC Name: cyclohexyl-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]azanium Traditional Name: cyclohexyl-[(4S)-7-keto-1-(2-phenoxyethyl)azepan-4-yl]ammonium Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c23-20-12-11-18(21-17-7-3-1-4-8-17)13-14-22(20)15-16-24-19-9-5-2-6-10-19/h2,5-6,9-10,17-18,21H,1,3-4,7-8,11-16H2/p+1/t18-/m0/s1