2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(3-methyl-2-nitro-benzoyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C18H18N5O3+ MolecularWeight: 352.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H17N5O3/c1-13-4-2-6-15(16(13)23(25)26)18(24)22-10-8-21(9-11-22)17-14(12-19)5-3-7-20-17/h2-7H,8-11H2,1H3/p+1