[1-pentan-3-yl-1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-ium-2-yl]methyl carbamate

Systemtic Name: [1-pentan-3-yl-1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-ium-2-yl]methyl carbamate Openeye Name: [1-(1-ethylpropyl)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-1-ium-2-yl]methyl carbamate CAS Name: carbamic acid [1,4-bis[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-pentan-3-yl-2-piperazin-1-iumyl]methyl ester IUPAC Name: [1-pentan-3-yl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-1-ium-2-yl]methyl carbamate Traditional Name: carbamic acid [1-(1-ethylpropyl)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-1-ium-2-yl]methyl ester Formula: C31H44N3O10+ MolecularWeight: 618.69516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[N+]1(CCN(CC1COC(=O)N)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(CC)[N+]1(CCN(CC1COC(=O)N)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C31H43N3O10/c1-9-21(10-2)34(30(36)20-15-25(40-5)28(43-8)26(16-20)41-6)12-11-33(17-22(34)18-44-31(32)37)29(35)19-13-23(38-3)27(42-7)24(14-19)39-4/h13-16,21-22H,9-12,17-18H2,1-8H3,(H-,32,37)/p+1