1,3-di(piperidin-1-ium-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate dichloride

Systemtic Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate dichloride Openeye Name: [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] N-(3-butoxyphenyl)carbamate dichloride CAS Name: N-(3-butoxyphenyl)carbamic acid 1,3-bis(1-piperidin-1-iumyl)propan-2-yl ester dichloride IUPAC Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate dichloride Traditional Name: N-(3-butoxyphenyl)carbamic acid [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester dichloride Formula: C24H41Cl2N3O3 MolecularWeight: 490.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCCC2)C[NH+]3CCCCC3.[Cl-].[Cl-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCCC2)C[NH+]3CCCCC3.[Cl-].[Cl-]

InChI

InChI=1S/C24H39N3O3.2ClH/c1-2-3-17-29-22-12-10-11-21(18-22)25-24(28)30-23(19-26-13-6-4-7-14-26)20-27-15-8-5-9-16-27;;/h10-12,18,23H,2-9,13-17,19-20H2,1H3,(H,25,28);2*1H