4-(4-ethylpiperazin-4-ium-1-yl)-8-methoxy-5-methyl-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-methoxy-5-methyl-pyrimido[5,4-b]indole Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-methoxy-5-methyl-pyrimido[5,4-b]indole CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-8-methoxy-5-methylpyrimido[5,4-b]indole IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-methoxy-5-methylpyrimido[5,4-b]indole Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-methoxy-5-methyl-pyrimid[5,4-b]indole Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2N(C4=C3C=C(C=C4)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2N(C4=C3C=C(C=C4)OC)C

InChI

InChI=1S/C18H23N5O/c1-4-22-7-9-23(10-8-22)18-17-16(19-12-20-18)14-11-13(24-3)5-6-15(14)21(17)2/h5-6,11-12H,4,7-10H2,1-3H3/p+1