4-oxidanylidene-3-propyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C22H26N4O2S/c1-2-11-26-22(28)17-9-4-3-8-16(17)20(24-26)21(27)23-15-18(19-10-7-14-29-19)25-12-5-6-13-25/h3-4,7-10,14,18H,2,5-6,11-13,15H2,1H3,(H,23,27)/p+1/t18-/m0/s1