4-[2-[[(R)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[[(R)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[[(R)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-[[(R)-(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-34-24-14-12-22(13-15-24)26(21-8-4-2-5-9-21)29-25(32)20-30-16-18-31(19-17-30)27(33)28-23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3,(H,28,33)(H,29,32)/p+1/t26-/m1/s1