N-[5-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyrimidin-2-yl]butanamide hydrochloride

Systemtic Name: N-[5-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyrimidin-2-yl]butanamide hydrochloride Openeye Name: N-[5-[4-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]pyrimidin-2-yl]butanamide hydrochloride CAS Name: N-[5-[4-(1-ethyl-1-piperazin-1-iumyl)-3-isoquinolinyl]-2-pyrimidinyl]butanamide hydrochloride IUPAC Name: N-[5-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]pyrimidin-2-yl]butanamide hydrochloride Traditional Name: N-[5-[4-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]pyrimidin-2-yl]butyramide hydrochloride Formula: C23H30ClN6O+ MolecularWeight: 441.9769

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC=C(C=N1)C2=C(C3=CC=CC=C3C=N2)[N+]4(CCNCC4)CC.Cl

Isomeric SMILES

CCCC(=O)NC1=NC=C(C=N1)C2=C(C3=CC=CC=C3C=N2)[N+]4(CCNCC4)CC.Cl

InChI

InChI=1S/C23H28N6O.ClH/c1-3-7-20(30)28-23-26-15-18(16-27-23)21-22(29(4-2)12-10-24-11-13-29)19-9-6-5-8-17(19)14-25-21;/h5-6,8-9,14-16,24H,3-4,7,10-13H2,1-2H3;1H/p+1