[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C51

InChI

InChI=1S/C26H26N4O3/c1-2-29-24-6-4-3-5-22(24)23-17-19(7-12-25(23)29)18-27-13-15-28(16-14-27)26(31)20-8-10-21(11-9-20)30(32)33/h3-12,17H,2,13-16,18H2,1H3/p+1