(2R)-N-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-N-(3-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-methoxyphenyl)propionamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-17(21(25)22-19-9-6-10-20(15-19)26-2)24-13-11-23(12-14-24)16-18-7-4-3-5-8-18/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25)/p+2/t17-/m1/s1