[1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrol-3-yl]-phenyl-methanone Openeye Name: [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrol-3-yl]-phenyl-methanone CAS Name: [1-methyl-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-pyrrolyl]-phenylmethanone IUPAC Name: [1-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyrrol-3-yl]-phenylmethanone Traditional Name: [1-methyl-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]pyrrol-3-yl]-phenyl-methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-24-15-18(20(27)17-6-3-2-4-7-17)14-19(24)16-25-10-12-26(13-11-25)21-22-8-5-9-23-21/h2-9,14-15H,10-13,16H2,1H3/p+1