[2-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl-cyclobutyl-azanium

Systemtic Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl-cyclobutyl-azanium Openeye Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-phenyl]methyl-cyclobutyl-ammonium CAS Name: [2-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-cyclobutylammonium IUPAC Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-cyclobutylazanium Traditional Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-benzyl]-cyclobutyl-ammonium Formula: C20H33ClN2O2+2 MolecularWeight: 368.94122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=C(C=C(C=C2)Cl)C[NH2+]C3CCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2)Cl)C[NH2+]C3CCC3)O

InChI

InChI=1S/C20H31ClN2O2/c21-17-8-9-20(16(12-17)13-22-18-6-5-7-18)25-15-19(24)14-23-10-3-1-2-4-11-23/h8-9,12,18-19,22,24H,1-7,10-11,13-15H2/p+2/t19-/m0/s1