4-(1-adamantylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1-adamantylmethyl)-N-naphthalen-1-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1-adamantylmethyl)-N-(1-naphthyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1-adamantylmethyl)-N-(1-naphthalenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1-adamantylmethyl)-N-naphthalen-1-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(1-adamantylmethyl)-N-(1-naphthyl)piperazin-4-ium-1-carboxamide Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H33N3O/c30-25(27-24-7-3-5-22-4-1-2-6-23(22)24)29-10-8-28(9-11-29)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h1-7,19-21H,8-18H2,(H,27,30)/p+1