2-[2-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[2-(diethylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[2-(diethylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H30N5O3S+ MolecularWeight: 396.5275

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C18H29N5O3S/c1-3-23(4-2)16(25)13-22-8-5-7-21(9-10-22)12-15(24)20-18-14(17(19)26)6-11-27-18/h6,11H,3-5,7-10,12-13H2,1-2H3,(H2,19,26)(H,20,24)/p+1