2-[2-azanyl-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C23H32N4O3/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3/p+2/t20-/m1/s1