1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole

Systemtic Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole Openeye Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole CAS Name: 1-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]indole IUPAC Name: 1-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole Traditional Name: 1-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]indole Formula: C18H22N5+ MolecularWeight: 308.40078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5/c1-21-13-15(16-5-2-3-6-17(16)21)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h2-8,13H,9-12,14H2,1H3/p+1