N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O3/c1-17-5-4-6-18(15-17)27-14-7-21-19(25)16-22-10-12-24(13-11-22)20(26)23-8-2-3-9-23/h4-6,15H,2-3,7-14,16H2,1H3,(H,21,25)/p+1