N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: N-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-(2-pyridyl)ethyl]benzamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-22-11-13-24(14-12-22)18-7-6-16(15-19(18)25(27)28)20(26)23(2)10-8-17-5-3-4-9-21-17/h3-7,9,15H,8,10-14H2,1-2H3/p+1