N-tert-butyl-2-[4-[2-(2-phenylindol-1-yl)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2-phenylindol-1-yl)ethanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-phenylindol-1-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-(2-phenyl-1-indolyl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2-phenylindol-1-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-phenylindol-1-yl)acetyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)28-25(32)19-29-14-9-15-30(17-16-29)26(33)20-31-23-13-8-7-12-22(23)18-24(31)21-10-5-4-6-11-21/h4-8,10-13,18H,9,14-17,19-20H2,1-3H3,(H,28,32)/p+1