1-ethyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-ethyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CCO)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CCO)C#N

InChI

InChI=1S/C18H26N4O/c1-2-17-15-6-4-3-5-14(15)16(13-19)18(20-17)22-9-7-21(8-10-22)11-12-23/h23H,2-12H2,1H3/p+2