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

Systemtic Name: N-butan-2-yl-N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)butan-2-amine Openeye Name: N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-N-sec-butyl-butan-2-amine CAS Name: N-butan-2-yl-N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)-2-butanamine IUPAC Name: N-butan-2-yl-N-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl)butan-2-amine Traditional Name: 9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-ylmethyl(disec-butyl)amine Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C[N+]12CC=CC1=COC3=CC=CC=C3C2)C(C)CC

Isomeric SMILES

CCC(C)N(C[N+]12CC=CC1=COC3=CC=CC=C3C2)C(C)CC

InChI

InChI=1S/C21H31N2O/c1-5-17(3)22(18(4)6-2)16-23-13-9-11-20(23)15-24-21-12-8-7-10-19(21)14-23/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3/q+1