N-pentan-3-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-pentan-3-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-pentan-3-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-pentan-3-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-ethylpropyl)-2-[4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C21H35N3O4/c1-6-17(7-2)22-19(25)15-24-12-10-23(11-13-24)14-16-8-9-18(26-3)21(28-5)20(16)27-4/h8-9,17H,6-7,10-15H2,1-5H3,(H,22,25)/p+2