N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)cycloheptanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)cycloheptanecarboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)cycloheptanecarboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]cycloheptanecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)cycloheptanecarboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)cycloheptanecarboxamide Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC[NH+]2CCOCC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC[NH+]2CCOCC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H32N2O4/c25-22(18-6-3-1-2-4-7-18)24(11-10-23-12-14-26-15-13-23)16-19-8-5-9-20-21(19)28-17-27-20/h5,8-9,18H,1-4,6-7,10-17H2/p+1