N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O/c1-17-22(18-10-4-2-5-11-18)23(25-20-13-7-6-12-19(20)24-17)26-21(28)16-27-14-8-3-9-15-27/h2,4-7,10-13,22H,3,8-9,14-16H2,1H3,(H,25,26,28)/p+1/t22-/m1/s1