N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-phenethyl-propan-1-amine

Systemtic Name: N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-phenethyl-propan-1-amine Openeye Name: N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-phenethyl-propan-1-amine CAS Name: N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-phenethyl-1-propanamine IUPAC Name: N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-phenethylpropan-1-amine Traditional Name: 9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl-phenethyl-propyl-amine Formula: C24H29N2O+ MolecularWeight: 361.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=CC=C1)C[N+]23CC=CC2=COC4=CC=CC=C4C3

Isomeric SMILES

CCCN(CCC1=CC=CC=C1)C[N+]23CC=CC2=COC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N2O/c1-2-15-25(16-14-21-9-4-3-5-10-21)20-26-17-8-12-23(26)19-27-24-13-7-6-11-22(24)18-26/h3-13,19H,2,14-18,20H2,1H3/q+1