2-[4-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[(4R)-1-(2-naphthylmethyl)-7-oxo-azepan-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4R)-1-(2-naphthalenylmethyl)-7-oxo-4-azepanyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxoazepan-4-yl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[(4R)-7-keto-1-(2-naphthylmethyl)azepan-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)[C@@H]2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H36N4O2/c1-20(2)27-25(31)19-28-13-15-29(16-14-28)24-9-10-26(32)30(12-11-24)18-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,17,20,24H,9-16,18-19H2,1-2H3,(H,27,31)/p+1/t24-/m1/s1