(3-nitro-4-pyrrolidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-nitro-4-(1-pyrrolidinyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-nitro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-nitro-4-pyrrolidino-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c26-20(24-13-11-23(12-14-24)19-5-1-2-8-21-19)16-6-7-17(18(15-16)25(27)28)22-9-3-4-10-22/h1-2,5-8,15H,3-4,9-14H2/p+1