N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-pyrrol-1-yl-benzamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

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