N-[4-(1-ethyl-1-isoquinolin-1-yl-piperazin-1-ium-2-yl)phenyl]butanamide

Systemtic Name: N-[4-(1-ethyl-1-isoquinolin-1-yl-piperazin-1-ium-2-yl)phenyl]butanamide Openeye Name: N-[4-[1-ethyl-1-(1-isoquinolyl)piperazin-1-ium-2-yl]phenyl]butanamide CAS Name: N-[4-[1-ethyl-1-(1-isoquinolinyl)-2-piperazin-1-iumyl]phenyl]butanamide IUPAC Name: N-[4-(1-ethyl-1-isoquinolin-1-ylpiperazin-1-ium-2-yl)phenyl]butanamide Traditional Name: N-[4-[1-ethyl-1-(1-isoquinolyl)piperazin-1-ium-2-yl]phenyl]butyramide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2CNCC[N+]2(CC)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C2CNCC[N+]2(CC)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O/c1-3-7-24(30)28-21-12-10-20(11-13-21)23-18-26-16-17-29(23,4-2)25-22-9-6-5-8-19(22)14-15-27-25/h5-6,8-15,23,26H,3-4,7,16-18H2,1-2H3/p+1