N-tert-butyl-2-[4-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H36N5O3+ MolecularWeight: 382.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC(=O)NC2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC(=O)NC2CCCC2

InChI

InChI=1S/C19H35N5O3/c1-19(2,3)22-17(26)14-24-10-6-9-23(11-12-24)13-16(25)21-18(27)20-15-7-4-5-8-15/h15H,4-14H2,1-3H3,(H,22,26)(H2,20,21,25,27)/p+1