[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]azanium Openeye Name: [(2S)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]azanium Traditional Name: [(2S)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C2=CC(=C(C(=C2)OC)O)CC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC(=C(C(=C2)OC)O)CC=C

InChI

InChI=1S/C18H29N3O2/c1-4-6-14-11-15(12-17(23-3)18(14)22)16(13-19)21-9-7-20(5-2)8-10-21/h4,11-12,16,22H,1,5-10,13,19H2,2-3H3/p+2/t16-/m1/s1