N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butanamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butanamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-methylbutanamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methylbutanamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butyramide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC=CO1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC[C@H](C1=CC=CO1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-17(2)15-21(25)22-16-19(20-9-6-14-26-20)24-12-10-23(11-13-24)18-7-4-3-5-8-18/h3-9,14,17,19H,10-13,15-16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1