(3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[bis(4-methoxyphenyl)methylamino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-35-25-14-10-21(11-15-25)28(22-12-16-26(36-2)17-13-22)31-27(33)20-32-18-6-7-23(19-32)29(34)30-24-8-4-3-5-9-24/h3-5,8-17,23,28H,6-7,18-20H2,1-2H3,(H,30,34)(H,31,33)/p+1/t23-/m0/s1