5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Formula: C23H30N3O6+ MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29N3O6/c1-30-12-13-32-22-15-20(26(28)29)19(14-21(22)31-2)23(27)24-18-8-10-25(11-9-18)16-17-6-4-3-5-7-17/h3-7,14-15,18H,8-13,16H2,1-2H3,(H,24,27)/p+1