2-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C19H31N5O3S+2 MolecularWeight: 409.54614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C19H29N5O3S/c20-18(27)15-5-12-28-19(15)21-16(25)13-22-8-10-23(11-9-22)14-17(26)24-6-3-1-2-4-7-24/h5,12H,1-4,6-11,13-14H2,(H2,20,27)(H,21,25)/p+2