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

Systemtic Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-prop-2-enylammonium IUPAC Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C19H32N2O2+2 MolecularWeight: 320.46958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2/c1-2-10-20-14-17-8-7-9-19(13-17)23-16-18(22)15-21-11-5-3-4-6-12-21/h2,7-9,13,18,20,22H,1,3-6,10-12,14-16H2/p+2/t18-/m0/s1