1H-indol-5-yl-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 1H-indol-5-yl-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 1H-indol-5-yl-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 1H-indol-5-yl-[7-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 1H-indol-5-yl-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 1H-indol-5-yl-[7-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C28H30N5O2+ MolecularWeight: 468.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=C(C=C4)NC=C5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=C(C=C4)NC=C5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C28H29N5O2/c34-28(23-5-6-25-22(18-23)8-10-29-25)33-15-16-35-26-7-4-21(17-24(26)20-33)19-31-11-13-32(14-12-31)27-3-1-2-9-30-27/h1-10,17-18,29H,11-16,19-20H2/p+1