2-(azepan-1-ium-1-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2CCCC3=NC(=NC=C23)C4=CN=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N[C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4

InChI

InChI=1S/C21H27N5O/c27-20(15-26-11-3-1-2-4-12-26)24-18-8-5-9-19-17(18)14-23-21(25-19)16-7-6-10-22-13-16/h6-7,10,13-14,18H,1-5,8-9,11-12,15H2,(H,24,27)/p+1/t18-/m0/s1