1-piperazin-1-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one

Systemtic Name: 1-piperazin-1-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one Openeye Name: 1-piperazin-1-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one CAS Name: 1-(1-piperazinyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-butanone IUPAC Name: 1-piperazin-1-yl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one Traditional Name: 1-piperazino-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butan-1-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCC(=O)N3CCNCC3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCC(=O)N3CCNCC3

InChI

InChI=1S/C17H25N3O/c21-17(20-12-8-18-9-13-20)6-3-10-19-11-7-15-4-1-2-5-16(15)14-19/h1-2,4-5,18H,3,6-14H2/p+1