7-(1-benzothiophen-3-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(benzothiophen-3-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-benzothiophen-3-yl)-4-(1-ethyl-4-piperidin-1-iumyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1-benzothiophen-3-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(benzothiophen-3-yl)-4-(1-ethylpiperidin-1-ium-4-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H32N2O2S+2 MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CSC5=CC=CC=C54

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H30N2O2S/c1-3-26-10-8-20(9-11-26)27-12-13-29-25-19(16-27)14-18(15-23(25)28-2)22-17-30-24-7-5-4-6-21(22)24/h4-7,14-15,17,20H,3,8-13,16H2,1-2H3/p+2