butyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: butyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: butyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: butyl-[[4-[(2R)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: butyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: butyl-[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C=C1)OCC(CN2CC[NH+](CC2)CC)O)OC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC)O)OC

InChI

InChI=1S/C21H37N3O3/c1-4-6-9-22-15-18-7-8-20(21(14-18)26-3)27-17-19(25)16-24-12-10-23(5-2)11-13-24/h7-8,14,19,22,25H,4-6,9-13,15-17H2,1-3H3/p+2/t19-/m1/s1