4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piperazine-1-carboxamide Formula: C25H37N6O+ MolecularWeight: 437.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H36N6O/c1-19(2)24-27-20(3)16-23(28-24)30-12-14-31(15-13-30)25(32)26-17-21-6-8-22(9-7-21)18-29-10-4-5-11-29/h6-9,16,19H,4-5,10-15,17-18H2,1-3H3,(H,26,32)/p+1