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

Systemtic Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-phenyl]methyl]ammonium CAS Name: [2-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-prop-2-enylammonium IUPAC Name: [2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-5-chlorophenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[2-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-5-chloro-benzyl]ammonium Formula: C19H31ClN2O2+2 MolecularWeight: 354.91464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC1=C(C=CC(=C1)Cl)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

C=CC[NH2+]CC1=C(C=CC(=C1)Cl)OC[C@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C19H29ClN2O2/c1-2-9-21-13-16-12-17(20)7-8-19(16)24-15-18(23)14-22-10-5-3-4-6-11-22/h2,7-8,12,18,21,23H,1,3-6,9-11,13-15H2/p+2/t18-/m0/s1