2-(4-piperazin-4-ium-1-ylbutyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-(4-piperazin-4-ium-1-ylbutyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(4-piperazin-4-ium-1-ylbutyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[4-(1-piperazin-4-iumyl)butyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(4-piperazin-4-ium-1-ylbutyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-piperazin-4-ium-1-ylbutyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCCN3CC[NH2+]CC3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCCN3CC[NH2+]CC3

InChI

InChI=1S/C17H27N3/c1-2-6-17-15-20(12-7-16(17)5-1)11-4-3-10-19-13-8-18-9-14-19/h1-2,5-6,18H,3-4,7-15H2/p+2