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

Systemtic Name: cyclopropyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: cyclopropyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclopropyl-[[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopropyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclopropyl-[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+]C3CC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]C3CC3)OC)O

InChI

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