N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]phenyl]butanamide

Systemtic Name: N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]phenyl]butanamide Openeye Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]butanamide CAS Name: N-[3-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]phenyl]butanamide IUPAC Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]butanamide Traditional Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]butyramide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H30N4O3/c1-3-7-22(28)24-18-8-6-9-19(16-18)25-23(29)17-26-12-14-27(15-13-26)20-10-4-5-11-21(20)30-2/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3,(H,24,28)(H,25,29)/p+1