4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-9-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 9-methyl-4-(4-piperonylpiperazin-4-ium-1-yl)-5H-pyrimid[5,4-b]indole Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H23N5O2/c1-15-3-2-4-17-20(15)21-22(26-17)23(25-13-24-21)28-9-7-27(8-10-28)12-16-5-6-18-19(11-16)30-14-29-18/h2-6,11,13,26H,7-10,12,14H2,1H3/p+1