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

Systemtic Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl-cyclopentyl-azanium Openeye Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-phenyl]methyl-cyclopentyl-ammonium CAS Name: [2-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-cyclopentylammonium IUPAC Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-cyclopentylazanium Traditional Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-benzyl]-cyclopentyl-ammonium Formula: C21H35ClN2O2+2 MolecularWeight: 382.9678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=C(C=C(C=C2)Cl)C[NH2+]C3CCCC3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2)Cl)C[NH2+]C3CCCC3)O

InChI

InChI=1S/C21H33ClN2O2/c22-18-9-10-21(17(13-18)14-23-19-7-3-4-8-19)26-16-20(25)15-24-11-5-1-2-6-12-24/h9-10,13,19-20,23,25H,1-8,11-12,14-16H2/p+2/t20-/m0/s1