N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-1-(4-methyl-6-propan-2-yl-quinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-1-(4-methyl-6-propan-2-yl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-1-(6-isopropyl-4-methyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-1-(4-methyl-6-propan-2-yl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-1-(4-methyl-6-propan-2-ylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-1-(6-isopropyl-4-methyl-quinazolin-2-yl)isonipecotamide Formula: C29H44N5O+ MolecularWeight: 478.69256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)C(C)C)N3CCC(CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)C(C)C)N3CCC(CC3)C(=O)NCC4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C29H43N5O/c1-20(2)24-8-9-27-26(18-24)21(3)31-29(32-27)34-16-12-23(13-17-34)28(35)30-19-22-10-14-33(15-11-22)25-6-4-5-7-25/h8-9,18,20,22-23,25H,4-7,10-17,19H2,1-3H3,(H,30,35)/p+1