N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(phenylmethyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCC3)N

InChI

InChI=1S/C21H29N5O3/c1-2-3-13-25-19(22)18(20(28)23-21(25)29)26(14-16-9-5-4-6-10-16)17(27)15-24-11-7-8-12-24/h4-6,9-10H,2-3,7-8,11-15,22H2,1H3,(H,23,28,29)/p+1