(2R)-N-(1-adamantyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)propionamide Formula: C24H37N3O+2 MolecularWeight: 383.57008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H35N3O/c1-18(27-9-7-26(8-10-27)17-19-5-3-2-4-6-19)23(28)25-24-14-20-11-21(15-24)13-22(12-20)16-24/h2-6,18,20-22H,7-17H2,1H3,(H,25,28)/p+2/t18-,20?,21?,22?,24?/m1/s1