N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(9-ethylcarbazol-3-yl)methyleneamino]acetamide CAS Name: N-[(E)-(9-ethyl-3-carbazolyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(9-ethylcarbazol-3-yl)methyleneamino]acetamide Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=NNC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=N/NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C28H31N5O/c1-2-33-26-11-7-6-10-24(26)25-18-23(12-13-27(25)33)19-29-30-28(34)21-32-16-14-31(15-17-32)20-22-8-4-3-5-9-22/h3-13,18-19H,2,14-17,20-21H2,1H3,(H,30,34)/p+1/b29-19+