1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c27-20-21(28)26(22(29)25(20)12-11-18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2/p+1