[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-prop-2-enyl-azanium

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-prop-2-enylammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]CC=C)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]CC=C)OC)O

InChI

InChI=1S/C20H33N3O3/c1-4-8-21-14-17-6-7-19(20(13-17)25-3)26-16-18(24)15-23-11-9-22(5-2)10-12-23/h4,6-7,13,18,21,24H,1,5,8-12,14-16H2,2-3H3/p+2/t18-/m0/s1