N-(1,3-benzodioxol-5-yl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxamide Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O3/c29-25(26-21-11-12-22-23(17-21)31-18-30-22)28-15-13-27(14-16-28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2,(H,26,29)/p+1