2-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(9-methyl-5H-pyrimid[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CCO

InChI

InChI=1S/C17H21N5O/c1-12-3-2-4-13-14(12)15-16(20-13)17(19-11-18-15)22-7-5-21(6-8-22)9-10-23/h2-4,11,20,23H,5-10H2,1H3/p+1