3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethylpiperazin-1-ium-1-yl)isoquinoline

Systemtic Name: 3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethylpiperazin-1-ium-1-yl)isoquinoline Openeye Name: 3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethylpiperazin-1-ium-1-yl)isoquinoline CAS Name: 3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethyl-1-piperazin-1-iumyl)isoquinoline IUPAC Name: 3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethylpiperazin-1-ium-1-yl)isoquinoline Traditional Name: 3-[2-(1,3-dioxolan-2-yl)phenyl]-1-(1-ethylpiperazin-1-ium-1-yl)isoquinoline Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4C5OCCO5

Isomeric SMILES

CC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4C5OCCO5

InChI

InChI=1S/C24H28N3O2/c1-2-27(13-11-25-12-14-27)23-19-8-4-3-7-18(19)17-22(26-23)20-9-5-6-10-21(20)24-28-15-16-29-24/h3-10,17,24-25H,2,11-16H2,1H3/q+1