N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC=CS1)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-28-13-12-23(15-19-3-2-14-29-19)20(25)16-21-8-10-22(11-9-21)17-4-6-18(7-5-17)24(26)27/h2-7,14H,8-13,15-16H2,1H3/p+1