(2S)-N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]butanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide Traditional Name: (2S)-N-(4-methoxyphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyramide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O2/c1-3-18(20(25)22-16-7-9-17(26-2)10-8-16)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,18H,3,12-15H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1