4-(4-methylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide

Systemtic Name: 4-(4-methylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Openeye Name: 4-(4-methylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide CAS Name: 4-(4-methylphenoxy)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(4-methylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Traditional Name: 4-(4-methylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-20-9-11-22(12-10-20)28-19-5-8-23(27)24-13-14-25-15-17-26(18-16-25)21-6-3-2-4-7-21/h2-4,6-7,9-12H,5,8,13-19H2,1H3,(H,24,27)/p+1