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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-methoxy-3-oxidanylidene-propyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(3-methoxy-3-oxo-propyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-(3-methoxy-3-oxopropyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-methoxy-3-oxopropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-keto-3-methoxy-propyl)ammonium Formula: C20H35N3O4+2 MolecularWeight: 381.5096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4/c1-3-22-9-11-23(12-10-22)15-18(24)16-27-19-6-4-5-17(13-19)14-21-8-7-20(25)26-2/h4-6,13,18,21,24H,3,7-12,14-16H2,1-2H3/p+2/t18-/m0/s1