[1-[[4-(azepan-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[4-(azepan-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[4-(azepan-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[4-(1-azepanyl)-2-quinazolinyl]methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[4-(azepan-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[4-(azepan-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C25H36N5O+ MolecularWeight: 422.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+]4CCC(CC4)C(=O)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+]4CCC(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C25H35N5O/c31-25(30-15-7-8-16-30)20-11-17-28(18-12-20)19-23-26-22-10-4-3-9-21(22)24(27-23)29-13-5-1-2-6-14-29/h3-4,9-10,20H,1-2,5-8,11-19H2/p+1