3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride

Systemtic Name: 3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Openeye Name: 3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Traditional Name: 3-[3,4-bis(2-methoxyethoxy)phenyl]-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C27H36ClN3O4 MolecularWeight: 502.04544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOC)OCCOC.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOC)OCCOC.Cl

InChI

InChI=1S/C27H35N3O4.ClH/c1-4-29-11-13-30(14-12-29)27-23-8-6-5-7-21(23)19-24(28-27)22-9-10-25(33-17-15-31-2)26(20-22)34-18-16-32-3;/h5-10,19-20H,4,11-18H2,1-3H3;1H